data_2jq9_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 2jq9 _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 ' 5' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.451 -0.379 0 CA-C-O 120.778 0.323 . . . . 75.099999999999994 110.842 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.15 -53.09 61.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 61.299999999999997 110.85 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -60.01 -43.78 95.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 72.200000000000003 110.755 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -62.38 -34.67 77.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 63.299999999999997 111.039 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.42 ' CB ' ' CE1' ' A' ' 39' ' ' PHE . . . -69.13 -41.94 76.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 73.400000000000006 111.051 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.3 mt -77.5 -46.03 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 44.5 111.105 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.82 -33.08 71.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 75.400000000000006 110.897 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.1 mt -69.66 -53.82 16.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 74.299999999999997 110.884 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.415 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 11.9 p -62.89 -34.96 69.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 73.5 111.092 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.3 m -60.24 -41.42 93.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 75.0 110.841 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -70.54 -31.58 68.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 64.299999999999997 110.852 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.92 -40.85 78.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 70.200000000000003 111.061 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.44 -49.56 76.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 71.200000000000003 110.811 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -60.07 -38.3 82.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 73.5 110.996 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -62.65 -48.62 78.54 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.959 -0.564 . . . . 70.400000000000006 110.817 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -57.2 -30.07 64.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 72.5 110.971 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.6 mttp -77.27 -26.38 52.37 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.407 -0.36 . . . . 75.0 111.045 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.15 28.79 3.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.085 -0.507 . . . . 70.299999999999997 111.164 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt 58.05 30.9 19.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.132 0.491 . . . . 73.400000000000006 111.129 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -110.07 80.72 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 72.299999999999997 110.949 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -71.16 -38.22 72.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 75.0 110.828 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -61.98 -60.17 4.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.878 0.37 . . . . 74.299999999999997 110.868 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.34 -30.65 71.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 73.299999999999997 110.947 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.84 -30.87 64.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 64.400000000000006 111.155 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -72.98 -49.03 31.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 62.100000000000001 110.966 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -59.09 -36.84 75.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 64.5 110.938 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -75.43 -31.5 60.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 73.400000000000006 110.843 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -71.24 -54.79 9.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 65.099999999999994 110.906 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -59.67 -31.78 69.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 72.5 110.886 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -73.91 -35.83 64.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 61.100000000000001 110.879 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.51 -55.13 7.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 75.299999999999997 111.092 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.6 t -59.69 -41.66 86.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 71.299999999999997 111.118 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -60.01 -39.88 87.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 74.400000000000006 110.926 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -73.97 -31.52 63.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 74.200000000000003 110.887 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.42 ' CE1' ' CB ' ' A' ' 9' ' ' ALA . 3.7 m-85 -66.87 -47.93 70.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 72.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.1 mt -59.93 -44.86 94.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 75.299999999999997 110.922 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -60.36 -31.5 70.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 74.299999999999997 110.916 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.22 -34.29 68.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 64.200000000000003 111.163 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 9.5 mt -69.51 -49.37 60.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 71.5 111.06 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.23 -32.51 71.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 70.299999999999997 110.889 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -80.48 -53.98 6.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 74.099999999999994 110.924 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -137.92 150.03 46.72 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.204 -0.453 . . . . 71.299999999999997 111.07 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.68 171.5 18.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 74.5 111.102 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 64.8 m170 -103.21 -54.23 2.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.306 -0.406 . . . . 71.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.4 m -173.5 -176.04 1.23 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.173 -0.467 . . . . 53.399999999999999 110.94 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.24 -39.88 91.94 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.006 -0.543 . . . . 73.0 110.965 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -60.24 -59.18 5.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.186 -0.461 . . . . 65.099999999999994 110.749 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.14 -43.74 95.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 72.400000000000006 111.211 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -60.16 -31.43 70.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.44 . . . . 72.5 110.97 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -68.1 -46.77 70.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 72.400000000000006 110.884 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.8 m -60.54 -38.31 84.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.277 -0.42 . . . . 65.299999999999997 110.611 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.0 mt -74.54 -31.43 27.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.062 -0.517 . . . . 74.099999999999994 111.064 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -71.59 -48.67 46.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 75.299999999999997 110.882 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.05 -39.85 83.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 74.099999999999994 111.085 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -69.02 -31.33 70.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 65.200000000000003 110.845 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 68.2 m -78.35 -44.61 24.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 63.5 110.886 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.7 t -58.7 -38.43 71.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 72.0 111.114 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -71.99 -38.33 69.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 55.399999999999999 110.867 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.415 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 4.5 m-85 -67.54 -34.31 76.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 73.200000000000003 110.893 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.0 tp -66.89 -41.7 86.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 73.099999999999994 110.856 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.27 -42.2 94.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 74.400000000000006 110.882 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.0 mtp85 -64.4 -32.46 74.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 62.5 110.842 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.42 -55.16 30.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 63.100000000000001 111.13 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -57.75 -30.31 65.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 61.0 110.961 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -71.72 -30.38 65.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 63.200000000000003 110.921 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.8 mt -77.63 -50.61 12.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 65.099999999999994 110.895 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -60.42 -32.03 70.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 65.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -77.77 -31.52 52.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 63.5 110.905 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -60.33 -43.91 95.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 74.299999999999997 110.867 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.1 mt -84.66 -40.87 16.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.129 0.49 . . . . 72.0 111.064 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 . . . . . 0 CA--C 1.521 -0.169 0 CA-C-N 115.971 -0.559 . . . . 71.299999999999997 111.264 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.872 0.368 . . . . 72.299999999999997 110.884 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.36 -30.32 67.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 63.299999999999997 110.947 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -59.27 -60.39 3.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 71.0 110.961 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.24 -29.52 64.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 73.200000000000003 110.94 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 36.7 t -64.86 -35.05 79.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 71.400000000000006 110.93 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.63 -50.37 13.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 74.299999999999997 110.888 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -60.71 -31.9 71.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 71.099999999999994 110.938 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 8.9 tt -69.04 -45.13 71.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 62.299999999999997 110.84 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.85 -31.19 69.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 73.099999999999994 111.096 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.33 -33.65 63.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 73.299999999999997 111.097 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 65.400000000000006 110.958 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.843 0.354 . . . . 72.099999999999994 110.93 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.6 -48.46 77.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 73.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -60.36 -32.26 71.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 63.399999999999999 110.901 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -82.85 -35.2 26.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 74.299999999999997 110.69 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.431 ' CB ' ' CE1' ' A' ' 39' ' ' PHE . . . -60.16 -39.83 87.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 74.099999999999994 111.09 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.6 mt -77.65 -44.16 29.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 74.400000000000006 111.097 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -59.98 -31.27 69.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 72.5 110.941 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.6 mt -71.74 -55.74 7.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 63.5 110.917 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.416 HG23 ' CZ ' ' A' ' 63' ' ' TYR . 11.9 p -59.75 -37.76 72.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 72.400000000000006 111.127 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 91.1 m -60.33 -52.22 66.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 60.0 110.831 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.9 mttp -61.35 -32.69 72.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 74.400000000000006 110.837 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.11 -39.29 82.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 36.799999999999997 111.106 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.34 -43.38 96.49 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.188 -0.46 . . . . 75.299999999999997 110.775 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -61.91 -40.09 94.28 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.619 -0.264 . . . . 55.0 110.561 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -51.36 70.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.954 0.407 . . . . 75.400000000000006 110.897 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -57.21 -30.3 64.45 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.082 -0.508 . . . . 75.299999999999997 111.117 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -79.61 -26.94 41.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.015 0.436 . . . . 74.400000000000006 111.213 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.54 29.56 3.25 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.69 -0.686 . . . . 54.299999999999997 111.092 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.0 mttm 60.17 39.49 19.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 64.299999999999997 110.717 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -122.2 77.33 1.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.392 -0.367 . . . . 75.5 110.989 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.485 ' CE2' ' CE2' ' A' ' 73' ' ' TYR . 28.2 m-85 -71.09 -46.12 62.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.861 -0.608 . . . . 74.299999999999997 110.837 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -62.26 -45.74 91.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 74.200000000000003 110.934 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -64.1 -45.34 89.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 75.099999999999994 110.899 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.411 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -59.81 -40.97 90.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 73.099999999999994 111.075 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -60.19 -38.48 83.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 74.400000000000006 110.892 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.1 mtt-85 -61.26 -53.18 60.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 74.200000000000003 110.92 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mt -70.25 -31.89 69.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 74.200000000000003 110.868 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.411 ' CE2' ' HB2' ' A' ' 28' ' ' ALA . 2.2 m-85 -63.28 -46.45 86.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 60.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -60.31 -49.68 76.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 74.099999999999994 110.956 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -60.29 -35.87 76.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 72.299999999999997 110.929 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.2 -52.38 35.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 72.200000000000003 111.101 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.8 t -63.42 -40.61 89.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 72.200000000000003 111.075 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -60.46 -53.64 55.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 61.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -60.27 -31.56 70.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 64.200000000000003 110.922 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.431 ' CE1' ' CB ' ' A' ' 9' ' ' ALA . 4.8 m-85 -62.1 -52.55 63.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 74.200000000000003 110.902 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.0 mt -60.3 -31.49 70.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 75.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -66.5 -35.3 79.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 73.200000000000003 110.911 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.54 -29.75 63.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 72.5 111.154 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 21.6 mt -73.91 -31.91 32.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 73.400000000000006 111.138 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.5 pttt -85.2 -41.88 15.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 75.400000000000006 110.926 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -69.97 -74.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 74.200000000000003 110.898 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -128.51 107.63 9.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 71.5 110.725 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -115.83 139.2 50.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.131 -0.486 . . . . 53.0 111.355 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -60.48 -74.51 0.08 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.042 -0.526 . . . . 71.400000000000006 110.755 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.9 m -153.94 -177.41 6.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 72.200000000000003 110.945 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -59.83 -36.52 76.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.979 0.418 . . . . 51.5 111.165 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -64.77 -47.67 77.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.986 -0.552 . . . . 74.299999999999997 110.809 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.37 -34.74 68.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 71.0 111.238 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -66.95 -31.55 72.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 75.299999999999997 110.967 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -76.11 -39.78 54.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 74.5 110.906 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.4 m -60.26 -40.87 91.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.07 -0.514 . . . . 63.399999999999999 110.903 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.2 mt -75.46 -38.49 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 116.368 -0.378 . . . . 71.299999999999997 110.966 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -56.24 23.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 75.099999999999994 110.891 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.25 -39.7 76.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 75.5 111.077 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -68.88 -30.32 68.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 50.299999999999997 110.829 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 57.4 m -74.73 -40.62 61.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 74.5 110.867 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.6 t -58.74 -43.65 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 72.099999999999994 111.105 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.93 -35.44 76.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 64.299999999999997 110.896 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.416 ' CZ ' HG23 ' A' ' 13' ' ' VAL . 5.8 m-85 -68.34 -33.43 74.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 75.400000000000006 110.881 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.4 -41.45 84.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 72.5 110.86 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.69 -43.76 97.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 75.200000000000003 110.869 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.3 mmm-85 -63.62 -33.06 74.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 71.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.12 -53.97 51.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 72.200000000000003 111.092 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -59.4 -31.11 68.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 64.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.1 tttm -67.58 -31.38 71.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 72.299999999999997 110.901 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 74.8 mt -78.86 -48.56 14.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 74.299999999999997 110.85 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -65.63 -33.15 75.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 75.299999999999997 110.815 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -78.25 -31.18 49.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 71.400000000000006 110.911 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.485 ' CE2' ' CE2' ' A' ' 25' ' ' TYR . 84.5 t80 -60.18 -62.06 2.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.069 -0.514 . . . . 71.200000000000003 110.729 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.6 mt -65.65 -41.08 92.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.384 -0.371 . . . . 74.099999999999994 110.859 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 74.5 111.22 179.787 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.823 0.344 . . . . 71.200000000000003 110.904 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.7 -29.99 67.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 72.299999999999997 110.947 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -58.89 -60.39 3.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 74.200000000000003 110.988 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.9 -29.6 64.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 74.299999999999997 110.971 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 40.7 t -61.07 -45.97 92.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 63.200000000000003 110.885 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -69.23 -40.96 77.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 75.400000000000006 110.914 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -60.39 -42.0 94.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 74.299999999999997 110.886 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.42 -45.46 93.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 72.099999999999994 110.925 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.03 -36.44 77.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 75.0 111.071 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.05 -32.54 59.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 73.299999999999997 111.144 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 21.4 tp . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 74.299999999999997 110.893 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 120.795 0.331 . . . . 74.099999999999994 110.817 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.31 -44.21 92.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 72.099999999999994 110.851 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -60.12 -31.39 70.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 43.399999999999999 110.959 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -77.96 -32.21 51.32 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.14 -0.482 . . . . 75.200000000000003 111.165 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.413 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . . . -69.29 -37.69 77.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.046 -0.524 . . . . 70.400000000000006 111.099 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.7 mt -77.45 -47.49 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 53.5 111.129 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -60.0 -31.27 69.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 73.099999999999994 110.903 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.3 mt -73.11 -54.93 7.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 75.5 110.864 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.418 HG22 ' CZ ' ' A' ' 63' ' ' TYR . 11.9 p -60.35 -38.21 76.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 63.299999999999997 111.129 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.9 m -59.32 -51.59 69.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 73.5 110.9 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -61.61 -33.7 74.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 75.400000000000006 110.869 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.417 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . . . -67.26 -32.37 73.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 74.5 111.112 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.29 -49.93 65.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 74.400000000000006 110.93 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -59.94 -31.56 69.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 74.400000000000006 110.857 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -62.26 -54.12 45.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.293 -0.412 . . . . 74.400000000000006 110.887 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -57.17 -30.12 64.22 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.983 -0.553 . . . . 73.0 111.041 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.99 -26.85 48.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.531 -0.304 . . . . 65.099999999999994 110.99 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.11 28.87 3.37 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.116 -0.493 . . . . 51.399999999999999 111.307 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? 58.93 38.18 24.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.082 0.467 . . . . 70.299999999999997 111.039 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -123.0 80.46 1.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 75.400000000000006 111.05 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.499 ' CE2' ' CE2' ' A' ' 73' ' ' TYR . 31.4 m-85 -79.06 -40.51 31.09 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.063 -0.517 . . . . 74.5 110.928 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.61 -35.47 79.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.928 -0.578 . . . . 72.299999999999997 110.871 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -83.02 -31.03 27.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 74.200000000000003 110.939 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.63 -41.07 76.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 73.0 111.118 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.27 -48.86 79.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 70.099999999999994 110.88 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -60.29 -39.41 86.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 73.299999999999997 110.913 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.6 mt -74.09 -36.35 64.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 73.299999999999997 110.902 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.417 ' CD2' ' HB3' ' A' ' 16' ' ' ALA . 2.5 m-85 -67.13 -42.06 85.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 71.5 110.921 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -60.15 -50.21 74.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 73.299999999999997 110.912 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -62.42 -31.54 72.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 74.200000000000003 110.919 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.37 -59.48 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 74.200000000000003 111.098 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.69 -32.66 49.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 75.0 111.117 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -60.37 -43.46 96.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 63.399999999999999 110.911 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -70.3 -31.68 69.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 73.5 110.913 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.413 ' CE2' ' HB2' ' A' ' 9' ' ' ALA . 4.0 m-85 -63.0 -51.87 65.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 72.400000000000006 110.894 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 63.1 mt -59.97 -37.5 79.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 74.400000000000006 110.939 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -69.57 -31.49 69.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 71.400000000000006 110.86 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.28 -31.35 60.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 64.200000000000003 111.126 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.0 mt -76.27 -45.26 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 74.5 111.061 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -60.24 -42.79 96.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 75.200000000000003 110.912 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -71.9 -56.68 5.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 73.5 110.898 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -137.16 179.03 6.63 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.233 -0.439 . . . . 71.5 111.111 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.17 179.41 1.55 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.403 -0.362 . . . . 63.200000000000003 110.976 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -106.63 -67.55 0.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.843 -0.617 . . . . 72.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -152.81 174.65 13.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 75.200000000000003 111.202 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -60.0 -43.17 95.37 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.469 -0.332 . . . . 74.200000000000003 110.945 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.6 tttm -60.65 -50.93 71.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.302 -0.408 . . . . 75.400000000000006 110.959 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.11 -44.0 96.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 61.100000000000001 111.279 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -60.18 -33.13 71.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.881 -0.6 . . . . 73.299999999999997 110.821 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -70.72 -36.69 73.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.02 0.438 . . . . 64.200000000000003 110.919 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.65 -31.6 72.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.022 -0.536 . . . . 74.299999999999997 110.733 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.9 mt -74.87 -37.13 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.141 -0.481 . . . . 75.5 110.973 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -61.52 -56.33 21.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 64.099999999999994 110.807 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.89 -39.94 75.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 73.400000000000006 111.069 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -66.15 -31.43 72.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 64.400000000000006 110.785 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 68.0 m -76.33 -46.97 25.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 75.200000000000003 110.915 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.6 t -58.87 -42.47 85.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 71.200000000000003 111.088 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -67.35 -35.66 79.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 63.100000000000001 110.875 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.418 ' CZ ' HG22 ' A' ' 13' ' ' VAL . 2.4 m-85 -67.89 -40.44 83.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 71.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 mp -60.35 -40.54 91.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 62.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.18 -51.53 69.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 73.400000000000006 110.863 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -65.13 -35.47 81.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 75.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.31 -53.27 60.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 63.200000000000003 111.098 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -59.66 -31.16 69.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 54.5 110.902 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -66.36 -32.52 73.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 70.200000000000003 110.889 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.406 HD22 ' CD1' ' A' ' 25' ' ' TYR . 77.9 mt -73.19 -49.22 29.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 70.400000000000006 110.845 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.78 -31.37 69.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 73.400000000000006 110.904 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -82.87 -30.92 28.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 72.200000000000003 110.868 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.499 ' CE2' ' CE2' ' A' ' 25' ' ' TYR . 75.2 t80 -60.02 -36.84 78.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 75.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.5 mt -83.53 -40.08 19.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.338 -0.392 . . . . 72.099999999999994 110.919 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 116.26 -0.427 . . . . 74.5 110.76 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.808 0.337 . . . . 72.099999999999994 110.927 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -69.96 -29.88 67.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 53.399999999999999 110.975 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -59.07 -60.4 3.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 64.400000000000006 110.978 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.53 -30.29 67.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 71.5 110.947 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 37.9 m -66.24 -37.37 85.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 64.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 12.3 ttt85 -69.26 -43.46 73.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 72.200000000000003 110.941 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -65.5 -35.23 80.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 73.099999999999994 110.882 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 2.4 tt -60.24 -49.13 78.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 74.200000000000003 110.918 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.14 -37.36 79.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 43.200000000000003 111.129 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.74 -31.39 69.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 63.200000000000003 111.089 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 74.200000000000003 110.863 -179.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.784 0.326 . . . . 74.200000000000003 110.89 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.17 -50.23 64.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 72.400000000000006 110.949 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -60.54 -41.82 95.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 73.099999999999994 110.791 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -69.67 -33.28 72.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 75.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.13 -51.03 71.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 64.299999999999997 111.098 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.5 mt -66.16 -48.02 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 65.099999999999994 111.066 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.42 -31.36 69.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 74.099999999999994 110.891 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.7 mt -71.55 -52.34 18.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 74.400000000000006 110.885 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.6 p -65.15 -34.19 68.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 62.399999999999999 111.092 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.5 m -59.8 -50.49 73.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 74.400000000000006 110.856 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -60.06 -35.38 75.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 70.400000000000006 110.856 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.417 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -65.01 -39.9 94.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 71.299999999999997 111.096 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -41.2 93.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 74.5 110.736 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -63.63 -35.67 81.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.026 0.441 . . . . 74.099999999999994 110.898 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -76.24 -43.89 40.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.94 -0.573 . . . . 64.200000000000003 110.816 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.92 -31.18 71.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.303 -0.408 . . . . 71.0 111.175 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.0 -21.24 27.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 63.399999999999999 111.348 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.18 28.59 3.15 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.976 -0.556 . . . . 65.400000000000006 111.394 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.9 mttt 58.78 39.17 24.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 74.099999999999994 110.812 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -126.04 77.97 1.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.031 0.443 . . . . 74.200000000000003 110.864 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.412 ' CD1' HD22 ' A' ' 70' ' ' LEU . 20.2 m-85 -73.32 -31.45 64.01 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.951 -0.568 . . . . 73.299999999999997 110.863 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -62.11 -60.06 4.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.452 -0.34 . . . . 72.5 110.94 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -36.03 82.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 74.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.53 -40.72 88.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 60.5 111.147 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -64.85 -39.3 93.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 74.5 110.92 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -60.05 -54.55 44.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 74.400000000000006 110.852 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.1 mt -67.96 -32.09 72.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 74.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.417 ' CE2' ' HB3' ' A' ' 16' ' ' ALA . 1.6 m-85 -64.29 -44.18 92.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 70.299999999999997 110.872 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -60.16 -49.3 78.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 75.099999999999994 110.894 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -60.16 -41.73 93.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 73.400000000000006 110.889 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.02 -51.66 68.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 63.0 111.089 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.4 t -63.23 -41.07 91.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 55.399999999999999 111.09 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -60.91 -48.86 79.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 75.099999999999994 110.921 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -60.05 -31.47 70.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 74.299999999999997 110.887 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -68.74 -51.21 43.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 63.5 110.923 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.5 mt -60.26 -32.01 70.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 72.400000000000006 110.879 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.402 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 11.5 m80 -72.23 -31.58 65.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 75.200000000000003 110.853 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.78 -30.51 67.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 73.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.4 mt -76.14 -48.69 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 74.400000000000006 111.109 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.27 -47.1 87.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 70.200000000000003 110.956 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.402 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 19.2 m-85 -68.5 -74.16 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 75.099999999999994 110.895 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -131.3 101.06 5.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 70.099999999999994 110.928 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.53 144.65 25.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 44.299999999999997 111.069 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -61.77 -68.15 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.401 -0.363 . . . . 71.0 110.666 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.4 m -164.34 -175.98 4.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.36 -0.382 . . . . 74.5 110.967 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -62.57 -51.22 68.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.967 -0.56 . . . . 74.299999999999997 110.782 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -60.2 -49.95 75.59 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.858 0.361 . . . . 75.5 110.871 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.13 -36.86 78.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 73.0 110.997 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt -60.64 -31.72 70.91 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.157 -0.474 . . . . 72.200000000000003 110.801 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -72.12 -41.98 66.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.317 -0.401 . . . . 71.200000000000003 110.924 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.5 m -60.15 -44.91 94.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 51.200000000000003 110.937 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 30.1 mt -72.0 -31.29 39.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.986 -0.552 . . . . 64.299999999999997 111.004 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -65.54 -52.7 50.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 75.299999999999997 110.879 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.87 -37.83 77.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 71.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -70.31 -32.9 70.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 73.099999999999994 110.919 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 98.3 m -79.26 -45.26 20.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 74.200000000000003 110.93 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.3 t -59.25 -38.77 76.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 71.299999999999997 111.075 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.34 -39.27 65.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 75.099999999999994 110.884 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -69.4 -33.02 72.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 75.200000000000003 110.867 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.27 -41.46 85.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 74.200000000000003 110.896 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -60.28 -48.82 80.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 61.299999999999997 110.87 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.3 mmm-85 -59.54 -43.9 93.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 75.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.95 -45.87 78.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 70.099999999999994 111.15 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -57.99 -36.08 72.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 54.100000000000001 110.749 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.3 tttp -77.51 -29.17 52.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.086 -0.506 . . . . 74.299999999999997 111.075 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.412 HD22 ' CD1' ' A' ' 25' ' ' TYR . 30.6 mt -63.53 -52.16 62.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.319 -0.4 . . . . 71.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -32.9 73.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 72.0 110.812 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -74.38 -30.37 61.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 73.099999999999994 110.946 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -64.93 -52.63 55.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 75.400000000000006 110.89 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.5 mt -59.02 -56.48 21.67 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.164 -0.471 . . . . 71.0 111.065 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.7 ptt180 . . . . . 0 C--N 1.321 -0.664 0 CA-C-N 116.371 -0.377 . . . . 74.299999999999997 110.993 -179.924 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.766 0.317 . . . . 71.5 110.883 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -69.91 -29.88 67.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 72.0 111.027 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -59.17 -60.4 3.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 65.5 111.005 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.19 -29.49 64.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 73.400000000000006 110.93 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 34.2 t -60.17 -39.24 85.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.404 . . . . 61.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 11.5 mtt85 -76.1 -38.7 56.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 74.099999999999994 110.907 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -63.17 -34.38 77.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 73.200000000000003 110.903 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.2 tt -72.59 -41.23 65.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 53.200000000000003 110.919 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.22 -34.16 73.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 61.299999999999997 111.066 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -85.01 -31.21 23.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 64.400000000000006 111.071 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 10.3 tp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 65.299999999999997 110.898 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.2 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.832 0.348 . . . . 71.5 110.868 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.18 -49.67 74.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 73.5 111.013 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -60.61 -30.68 69.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.257 -0.429 . . . . 64.400000000000006 111.261 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.1 -42.13 19.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.024 -0.535 . . . . 71.0 110.798 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.57 -30.55 68.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 64.299999999999997 111.1 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.9 mt -80.28 -45.62 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 74.400000000000006 111.089 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -59.88 -31.13 69.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 72.5 110.966 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -74.41 -55.92 5.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 75.299999999999997 110.964 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.418 HG22 ' CE1' ' A' ' 63' ' ' TYR . 12.6 p -59.15 -38.61 75.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 70.099999999999994 111.132 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.5 m -59.52 -50.26 74.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 63.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -61.65 -31.59 71.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 73.099999999999994 110.836 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.409 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -69.75 -39.31 76.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 51.299999999999997 111.098 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.24 -44.42 95.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 64.299999999999997 110.827 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -63.27 -40.97 98.88 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.478 -0.328 . . . . 73.099999999999994 110.638 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -59.21 -51.46 69.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.895 0.378 . . . . 75.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -57.43 -29.57 64.27 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.967 -0.561 . . . . 75.5 111.186 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -82.05 -26.31 33.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 71.200000000000003 111.044 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.26 29.48 3.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.371 -0.377 . . . . 65.0 111.088 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.7 mttm 58.64 36.06 24.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.096 0.474 . . . . 64.299999999999997 110.909 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -118.42 78.76 1.29 Allowed 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 120.96 0.41 . . . . 71.5 110.881 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.498 ' CE2' ' CE1' ' A' ' 73' ' ' TYR . 23.3 m-85 -76.3 -38.54 55.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.937 -0.574 . . . . 70.5 110.824 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -61.53 -38.23 86.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.839 0.352 . . . . 73.0 110.836 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.02 -37.29 24.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 71.099999999999994 110.906 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.75 -47.08 87.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 73.0 111.098 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.37 -39.36 86.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 60.399999999999999 110.906 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -60.09 -58.87 6.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 74.400000000000006 110.943 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mt -62.19 -31.53 72.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 74.5 110.91 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.409 ' CE2' ' HB2' ' A' ' 16' ' ' ALA . 2.6 m-85 -66.6 -40.16 88.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 73.400000000000006 110.913 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -60.24 -55.38 34.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 62.399999999999999 110.914 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.445 ' CD2' ' CE2' ' A' ' 38' ' ' TYR . 0.8 OUTLIER -60.24 -33.48 72.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 63.299999999999997 110.934 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.8 -55.42 34.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 64.400000000000006 111.086 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.87 -34.91 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 73.299999999999997 111.113 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -60.25 -52.49 65.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 74.099999999999994 110.917 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.445 ' CE2' ' CD2' ' A' ' 34' ' ' HIS . 9.9 m-85 -60.49 -35.82 76.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 70.200000000000003 110.895 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -66.82 -39.84 87.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 75.400000000000006 110.86 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.5 mt -60.32 -36.97 79.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 61.100000000000001 110.888 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.31 -31.47 67.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 73.299999999999997 110.955 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.82 -31.04 67.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 71.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.9 mt -72.12 -50.78 34.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 64.099999999999994 111.063 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -39.14 87.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 75.400000000000006 110.922 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -94.22 -74.61 0.53 Allowed 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.211 -0.45 . . . . 75.099999999999994 110.807 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.98 -169.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 70.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 61.09 157.94 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.206 -0.452 . . . . 72.0 111.157 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 51.3 m80 -144.56 -74.74 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.951 0.405 . . . . 72.200000000000003 110.867 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.3 p -62.07 153.42 29.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.032 -0.531 . . . . 73.299999999999997 110.968 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -59.79 -32.63 70.79 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.268 0.556 . . . . 71.200000000000003 111.226 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.21 -32.93 71.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.992 -0.549 . . . . 72.200000000000003 110.882 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.41 -37.7 51.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 63.0 111.034 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -75.72 -31.6 59.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 62.100000000000001 110.914 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -66.66 -49.46 66.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.297 -0.411 . . . . 73.099999999999994 110.855 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.32 -44.51 95.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 73.5 110.772 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.0 mt -71.83 -42.21 69.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.085 -0.507 . . . . 72.099999999999994 111.044 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -60.39 -54.45 45.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.316 -0.402 . . . . 71.200000000000003 110.874 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.85 -35.75 66.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 60.399999999999999 110.95 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 42.7 mttt -73.55 -31.52 63.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.061 -0.518 . . . . 53.299999999999997 110.69 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 92.0 m -74.79 -37.68 62.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 71.400000000000006 110.829 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 30.0 t -62.46 -44.29 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 74.299999999999997 110.988 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -67.29 -34.04 76.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 72.299999999999997 110.876 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.418 ' CE1' HG22 ' A' ' 13' ' ' VAL . 4.8 m-85 -64.22 -37.85 88.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 74.200000000000003 110.851 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.5 mt -67.64 -38.65 84.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 74.400000000000006 110.826 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.14 -38.32 82.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 63.399999999999999 110.848 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -71.12 -31.58 67.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 75.099999999999994 110.931 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.52 -58.02 9.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 75.099999999999994 111.124 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.06 -31.87 70.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 73.5 110.911 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 tpmt? -60.73 -52.83 63.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 73.099999999999994 110.895 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.48 -33.85 75.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 72.400000000000006 110.859 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -62.31 -47.98 81.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 72.400000000000006 110.863 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -61.3 -31.44 71.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 72.299999999999997 110.853 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.498 ' CE1' ' CE2' ' A' ' 25' ' ' TYR . 38.7 t80 -62.59 -44.13 97.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.044 -0.525 . . . . 74.5 111.04 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mt -75.44 -47.91 25.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 72.400000000000006 110.85 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 120.975 0.417 . . . . 74.099999999999994 111.098 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.858 0.361 . . . . 73.400000000000006 110.944 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -71.52 -29.75 65.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 72.5 110.944 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -58.71 -60.4 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 71.400000000000006 111.008 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -71.5 -29.51 64.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 70.200000000000003 110.963 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 42.6 t -63.51 -37.36 87.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 73.400000000000006 110.868 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -44.16 62.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 74.400000000000006 110.938 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -60.4 -31.84 70.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 72.400000000000006 110.894 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 2.4 tt -73.81 -36.64 65.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 71.200000000000003 110.896 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.51 -42.77 99.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 75.299999999999997 111.11 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -70.47 -31.55 68.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 64.5 111.116 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 3.8 tp . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 72.200000000000003 110.893 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 120.811 0.339 . . . . 72.099999999999994 110.844 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.79 -43.32 99.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 75.5 110.916 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -36.03 77.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 74.299999999999997 111.045 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -79.08 -31.62 44.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 71.299999999999997 110.872 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.86 -39.22 93.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 54.100000000000001 111.069 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.4 mt -78.2 -45.5 26.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 64.5 111.122 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -59.13 -31.59 69.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 73.5 110.916 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.4 mt -72.14 -55.95 6.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 70.400000000000006 110.846 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.416 HG23 ' CZ ' ' A' ' 63' ' ' TYR . 11.9 p -60.1 -35.05 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 71.5 111.017 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.0 m -59.96 -47.95 83.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 75.099999999999994 110.823 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -61.2 -31.83 71.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 72.099999999999994 110.859 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.2 -39.19 78.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 64.200000000000003 111.092 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.38 -47.27 86.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 74.0 110.757 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -60.19 -38.24 82.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 73.299999999999997 110.753 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.42 -50.15 48.48 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.923 0.392 . . . . 71.5 110.811 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -57.9 -33.68 69.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.996 -0.547 . . . . 52.0 110.94 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -88.08 -26.27 22.61 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 116.109 -0.496 . . . . 74.099999999999994 110.945 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.37 30.44 2.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.733 0.301 . . . . 51.299999999999997 111.165 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt 59.15 70.31 0.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.305 0.574 . . . . 54.399999999999999 111.061 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -158.7 73.46 0.63 Allowed 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.085 -0.507 . . . . 72.299999999999997 110.689 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -71.66 -36.2 70.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.845 0.355 . . . . 75.299999999999997 110.879 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -68.25 -36.45 79.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.97 -0.559 . . . . 65.099999999999994 110.845 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -83.05 -31.18 27.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 74.299999999999997 110.933 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.0 -30.7 68.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 65.299999999999997 111.142 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -70.12 -47.81 60.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 73.400000000000006 110.891 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -59.54 -37.02 77.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 74.200000000000003 110.919 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -76.01 -31.76 59.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 61.200000000000003 110.884 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -72.65 -42.84 63.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 75.299999999999997 110.91 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -60.29 -51.55 69.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 74.5 110.885 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.07 -31.57 72.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 74.400000000000006 110.932 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.58 -49.92 19.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 73.0 111.082 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.6 t -62.65 -39.43 84.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 73.299999999999997 111.059 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.25 -53.09 61.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 73.200000000000003 110.927 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -60.74 -31.55 70.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 75.200000000000003 110.907 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -63.69 -51.97 62.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 75.400000000000006 110.854 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.2 mt -60.04 -31.4 69.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 71.099999999999994 110.907 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -71.9 -31.11 66.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 73.400000000000006 110.869 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.09 -30.64 63.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 65.099999999999994 111.181 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.3 mt -76.61 -46.95 30.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 72.099999999999994 111.127 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -60.17 -44.84 94.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 74.099999999999994 110.911 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -67.17 -43.98 80.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 63.399999999999999 110.893 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -153.45 166.79 31.59 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.188 -0.46 . . . . 64.5 111.211 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -162.78 137.39 6.53 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.881 0.372 . . . . 75.200000000000003 111.379 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -60.6 -54.27 47.41 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 116.15 -0.477 . . . . 73.200000000000003 110.568 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -172.24 -177.26 1.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.884 0.373 . . . . 73.5 110.915 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -61.2 -51.35 69.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.951 -0.568 . . . . 73.200000000000003 110.645 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -60.61 -45.16 95.03 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.826 0.346 . . . . 75.400000000000006 111.045 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.68 -37.32 87.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 74.200000000000003 111.07 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.1 mtmt -63.83 -31.71 72.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.922 -0.581 . . . . 73.099999999999994 110.973 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.33 -44.68 71.15 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 115.914 -0.584 . . . . 74.099999999999994 110.942 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.58 -40.64 92.46 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.972 -0.558 . . . . 71.299999999999997 110.902 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.9 mt -71.36 -41.34 73.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 74.099999999999994 111.033 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -69.08 -46.73 67.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 74.5 110.844 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.14 -36.28 68.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 65.5 111.032 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.4 mttt -72.45 -30.39 64.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.029 -0.532 . . . . 71.299999999999997 110.773 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 79.5 m -74.63 -37.08 62.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 65.200000000000003 110.846 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.85 -51.08 76.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 72.400000000000006 111.089 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -63.17 -33.52 75.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 75.200000000000003 110.894 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.416 ' CZ ' HG23 ' A' ' 13' ' ' VAL . 2.5 m-85 -67.83 -32.36 72.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 75.299999999999997 110.877 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.5 -46.7 75.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 54.399999999999999 110.838 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.51 -35.13 75.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 72.299999999999997 110.911 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -71.06 -39.06 72.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 74.400000000000006 110.91 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.97 -57.86 11.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 111.058 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.84 -30.71 65.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 73.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -69.99 -30.72 68.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 73.099999999999994 110.953 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.4 mt -75.81 -49.44 18.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 74.0 110.932 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -61.25 -31.69 71.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 74.400000000000006 110.88 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -78.29 -31.6 49.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 72.200000000000003 110.878 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -60.36 -43.91 96.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.948 -0.569 . . . . 70.400000000000006 110.822 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.5 mt -78.28 -40.46 36.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.084 -0.507 . . . . 74.200000000000003 110.808 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.183 -0.462 . . . . 40.0 110.841 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.857 0.361 . . . . 75.5 110.947 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -80.03 -25.45 40.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 73.299999999999997 111.118 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.61 -60.37 3.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.376 -0.374 . . . . 64.5 111.06 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.98 -31.05 64.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 72.299999999999997 110.984 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 42.6 t -61.74 -39.94 93.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 54.299999999999997 110.919 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.84 -46.33 62.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 63.100000000000001 110.92 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -60.91 -37.59 82.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 73.200000000000003 110.918 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.35 -49.38 77.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 62.399999999999999 110.885 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.95 -31.23 69.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 72.200000000000003 111.079 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -81.31 -35.7 30.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 52.399999999999999 111.117 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 9.8 tt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 71.200000000000003 110.88 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.86 0.362 . . . . 74.099999999999994 110.84 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.5 -46.1 91.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 74.299999999999997 110.876 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -59.73 -32.64 70.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 71.299999999999997 111.127 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -81.34 -31.47 33.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.069 -0.514 . . . . 73.299999999999997 111.366 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.412 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -64.0 -43.54 95.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.047 -0.524 . . . . 72.400000000000006 111.076 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.5 mt -75.12 -37.86 41.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 64.400000000000006 111.069 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.27 -41.8 94.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 74.299999999999997 111.258 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.8 mt -66.85 -43.14 84.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 71.200000000000003 110.87 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.3 t -61.73 -43.89 97.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 72.200000000000003 111.098 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.5 m -57.35 -39.97 77.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 71.099999999999994 110.989 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -70.96 -28.41 64.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 73.5 110.996 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.42 ' HB2' ' CE1' ' A' ' 32' ' ' TYR . . . -77.89 -38.2 46.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 72.400000000000006 111.099 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -49.55 77.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 74.400000000000006 110.731 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.69 -31.54 70.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 71.099999999999994 110.742 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.47 -61.46 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.947 0.403 . . . . 71.400000000000006 110.796 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -57.87 -30.45 65.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.966 -0.561 . . . . 75.400000000000006 111.045 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -68.72 -29.71 68.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.872 0.368 . . . . 73.0 110.962 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.13 30.79 2.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.042 -0.526 . . . . 73.0 111.07 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.5 mttm 59.29 70.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.204 0.526 . . . . 74.5 110.932 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -156.02 73.49 0.82 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.139 -0.482 . . . . 75.400000000000006 110.955 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -69.08 -31.17 69.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.838 -0.619 . . . . 74.200000000000003 110.917 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -57.42 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.389 -0.369 . . . . 74.400000000000006 110.875 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -61.24 -40.9 95.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 74.400000000000006 110.919 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.41 90.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 75.400000000000006 111.094 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -60.45 -33.82 73.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 71.200000000000003 110.86 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -65.05 -58.74 5.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 74.200000000000003 110.885 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 mt -62.85 -33.3 74.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 72.299999999999997 110.895 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.42 ' CE1' ' HB2' ' A' ' 16' ' ' ALA . 2.3 m-85 -64.01 -41.44 97.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 74.200000000000003 110.927 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -60.1 -51.59 68.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 63.399999999999999 110.93 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -60.05 -38.07 81.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 73.299999999999997 110.902 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.83 -59.6 5.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 75.400000000000006 111.093 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.66 -37.4 70.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 65.0 111.16 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -60.17 -38.5 83.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 63.5 110.891 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -75.49 -31.46 60.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 74.099999999999994 110.894 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.412 ' CZ ' ' HB2' ' A' ' 9' ' ' ALA . 5.1 m-85 -65.04 -49.58 69.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 73.400000000000006 110.841 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 69.2 mt -60.36 -48.1 83.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.425 . . . . 64.400000000000006 110.862 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -60.22 -31.53 70.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 62.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.44 -53.47 8.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 73.400000000000006 111.092 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.6 mt -64.46 -34.07 67.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 73.299999999999997 111.068 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -72.56 -36.56 68.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 72.400000000000006 110.917 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -81.75 -31.75 31.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 72.099999999999994 110.911 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -160.28 142.07 12.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 70.400000000000006 110.683 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.2 151.61 37.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.009 -0.541 . . . . 75.099999999999994 111.184 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -70.2 -61.63 1.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 72.200000000000003 110.777 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.6 m -156.2 178.82 9.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.368 -0.378 . . . . 60.200000000000003 110.934 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.48 -48.94 79.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 73.099999999999994 110.989 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.5 tptt -60.38 -48.89 79.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.202 -0.454 . . . . 64.200000000000003 110.822 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.08 -34.72 75.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.326 -0.397 . . . . 71.299999999999997 110.8 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -65.43 -31.95 73.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.953 -0.567 . . . . 74.200000000000003 110.718 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -72.6 -43.2 63.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.105 0.479 . . . . 75.200000000000003 110.929 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.3 m -60.44 -52.2 66.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.026 -0.534 . . . . 71.5 110.872 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.5 mt -62.09 -49.51 83.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.096 -0.502 . . . . 73.400000000000006 111.069 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -60.37 -41.51 93.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 75.5 110.869 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.58 -35.3 68.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 74.299999999999997 111.02 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 16.8 mttt -72.63 -31.32 65.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 74.299999999999997 110.745 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 64.0 m -73.8 -37.67 64.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 73.5 110.875 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 18.8 t -61.42 -50.8 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 63.299999999999997 111.077 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -64.07 -31.36 72.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 64.200000000000003 110.866 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 59' ' ' LYS . 2.2 m-85 -69.28 -31.74 70.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 75.200000000000003 110.925 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.4 mt -69.74 -40.82 75.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 72.400000000000006 110.905 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -60.12 -49.76 76.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 64.099999999999994 110.933 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -65.08 -34.44 78.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 74.200000000000003 110.879 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.61 -52.97 62.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 73.5 111.163 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -59.56 -31.12 69.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 71.200000000000003 110.929 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.12 -31.56 69.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 60.0 110.93 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.9 mt -73.17 -55.02 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 74.400000000000006 110.899 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.9 tttm -58.06 -31.62 67.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 64.099999999999994 110.91 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -75.13 -30.41 60.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 75.099999999999994 110.862 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -61.94 -57.3 12.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.926 -0.579 . . . . 74.200000000000003 110.882 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.7 mp -68.67 -30.7 69.44 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.1 -0.5 . . . . 74.200000000000003 110.643 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.5 ttt85 . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 116.472 -0.331 . . . . 75.0 110.944 179.833 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.875 0.369 . . . . 63.399999999999999 110.951 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -76.52 -43.36 39.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 70.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -57.22 13.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 71.099999999999994 110.887 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 pp -60.06 -37.26 79.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 73.5 110.901 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 11.1 t -64.73 -37.68 88.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 65.299999999999997 110.895 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.57 -43.46 97.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 72.299999999999997 110.859 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -63.16 -35.13 79.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 71.299999999999997 110.898 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 8.8 tt -63.0 -46.31 88.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 71.099999999999994 110.9 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.02 -48.77 80.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 60.100000000000001 111.12 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.32 -31.3 70.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 62.200000000000003 111.095 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 6.8 tp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 70.299999999999997 110.917 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.875 0.369 . . . . 62.399999999999999 110.962 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.32 -47.11 80.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 70.099999999999994 110.911 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -60.78 -47.61 85.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.272 -0.422 . . . . 73.400000000000006 110.951 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -62.52 -31.84 72.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 74.299999999999997 111.1 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -65.66 -51.58 58.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 75.099999999999994 111.117 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 mt -62.59 -39.02 83.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.46 . . . . 61.399999999999999 111.072 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -59.73 -44.43 93.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 65.400000000000006 110.862 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.0 mt -66.49 -39.81 88.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 74.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.6 t -65.94 -38.7 82.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 71.400000000000006 111.084 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.0 m -57.08 -52.96 63.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 72.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.3 mttp -62.6 -27.15 69.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 64.400000000000006 110.974 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.413 ' HB2' ' CD2' ' A' ' 32' ' ' TYR . . . -76.15 -37.87 57.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.405 . . . . 64.099999999999994 111.071 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -42.8 96.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 52.399999999999999 110.695 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -67.69 -41.17 84.05 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 116.439 -0.346 . . . . 64.400000000000006 110.598 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -53.94 52.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.571 -0.286 . . . . 60.299999999999997 110.909 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -58.06 -29.68 65.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.493 -0.321 . . . . 73.400000000000006 111.012 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -83.76 -25.4 30.54 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.446 -0.343 . . . . 44.299999999999997 111.024 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.72 28.77 3.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.331 -0.395 . . . . 71.400000000000006 111.308 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.0 mttm 58.91 38.01 24.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.331 -0.395 . . . . 71.400000000000006 111.034 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -121.24 77.73 1.35 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 60.200000000000003 110.877 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -74.38 -31.99 62.58 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.19 -0.459 . . . . 72.299999999999997 110.931 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -62.54 -60.0 4.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.358 . . . . 70.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -64.58 -36.68 85.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 71.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.54 -48.8 80.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 74.299999999999997 111.142 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.08 -40.98 91.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 64.200000000000003 110.872 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -60.03 -60.35 3.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 75.299999999999997 110.904 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.0 mt -61.16 -31.37 71.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 71.299999999999997 110.925 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.413 ' CD2' ' HB2' ' A' ' 16' ' ' ALA . 2.3 m-85 -66.71 -40.13 88.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 73.5 110.864 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -60.04 -54.53 44.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 73.200000000000003 110.936 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -60.37 -33.96 73.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 73.099999999999994 110.868 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.12 -55.77 22.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 65.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.4 t -63.26 -36.68 77.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 74.299999999999997 111.04 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -60.03 -37.93 81.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 74.299999999999997 110.904 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -74.17 -33.76 63.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 72.299999999999997 110.84 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.419 ' CZ ' ' HB2' ' A' ' 9' ' ' ALA . 3.9 m-85 -62.19 -52.63 63.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 74.400000000000006 110.869 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.5 mt -59.67 -41.05 89.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.200000000000003 110.859 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.49 -31.47 70.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 61.200000000000003 110.922 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.57 -31.34 63.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 71.099999999999994 111.088 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.7 mt -75.54 -49.1 28.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 75.299999999999997 111.151 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -62.32 -31.59 72.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 72.299999999999997 110.887 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -81.45 -74.54 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 74.400000000000006 110.887 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -134.38 114.66 13.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.913 -0.585 . . . . 75.400000000000006 110.819 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.57 -175.41 2.79 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.124 0.488 . . . . 51.399999999999999 111.258 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -106.35 -65.94 1.04 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.858 0.361 . . . . 64.400000000000006 110.908 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 m -162.76 -177.61 5.64 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.062 -0.517 . . . . 63.5 111.117 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -61.96 -50.64 71.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.997 0.427 . . . . 71.0 110.908 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -60.29 -44.72 95.12 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.037 -0.529 . . . . 60.200000000000003 110.866 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.68 -45.42 78.9 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.057 -0.52 . . . . 72.400000000000006 111.234 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm -60.32 -33.52 72.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 65.200000000000003 110.866 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -70.65 -34.44 72.06 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.082 -0.508 . . . . 75.099999999999994 110.874 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.12 -45.25 85.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.036 0.446 . . . . 74.299999999999997 111.08 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.8 mt -63.21 -35.3 71.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 73.400000000000006 110.933 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -60.38 -51.5 69.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 73.200000000000003 110.866 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.76 -30.5 68.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 75.299999999999997 111.109 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt -75.28 -30.96 60.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 74.299999999999997 110.842 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 65.7 m -81.7 -44.87 16.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 70.299999999999997 110.941 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.2 p -58.63 -39.15 75.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 73.099999999999994 111.102 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.79 -41.4 65.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 73.299999999999997 110.899 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -69.4 -31.49 69.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 73.5 110.877 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -49.19 72.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 70.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -60.29 -37.6 80.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 74.5 110.874 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -31.68 69.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 71.5 110.841 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.48 -57.58 9.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 75.099999999999994 111.06 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -58.71 -31.18 68.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 75.099999999999994 110.974 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -66.1 -31.86 72.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 74.400000000000006 110.852 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.0 mp -76.42 -49.43 16.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 74.299999999999997 110.883 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -31.45 70.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 74.299999999999997 110.924 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -78.22 -31.49 49.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 52.100000000000001 110.862 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -64.93 -40.09 94.5 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.233 -0.44 . . . . 73.200000000000003 110.898 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.6 mt -82.13 -34.56 29.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.05 0.452 . . . . 55.299999999999997 110.936 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.8 ttp85 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 115.986 -0.552 . . . . 74.099999999999994 110.89 -179.86 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.83 0.348 . . . . 71.5 110.999 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -64.49 -30.7 71.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 75.5 110.976 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -59.63 -60.46 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 52.399999999999999 110.959 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.6 -31.3 63.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 75.099999999999994 110.969 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 40.9 t -60.53 -37.57 81.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 75.099999999999994 110.912 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -74.24 -45.36 48.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 75.299999999999997 110.866 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -60.37 -31.89 70.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 75.299999999999997 110.875 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.9 tt -70.79 -43.6 68.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 72.400000000000006 110.924 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.97 -31.24 69.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 65.400000000000006 111.089 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -82.05 -31.29 30.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 74.400000000000006 111.067 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 8.8 tp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 71.400000000000006 110.901 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.791 0.329 . . . . 74.0 110.861 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 mp -60.85 -42.46 97.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 75.099999999999994 111.012 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -59.68 -34.53 72.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 73.099999999999994 110.699 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.13 -37.84 37.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 75.5 111.06 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.41 ' HB1' ' CZ ' ' A' ' 39' ' ' PHE . . . -60.7 -51.27 70.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.023 -0.535 . . . . 74.5 111.06 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.0 mt -68.22 -32.73 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 70.299999999999997 111.065 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -59.96 -39.52 85.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 65.099999999999994 110.845 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.47 -43.1 73.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 72.099999999999994 110.855 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.9 t -59.96 -42.91 91.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 54.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.2 m -57.82 -48.59 79.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 75.299999999999997 110.899 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -63.72 -28.97 70.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 73.200000000000003 110.896 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.42 -34.92 54.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 74.099999999999994 110.977 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -45.36 93.74 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.19 -0.459 . . . . 74.5 110.66 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -70.34 -35.8 73.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.267 -0.424 . . . . 71.099999999999994 110.772 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.44 -49.58 58.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.077 -0.51 . . . . 71.0 110.822 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -59.46 -48.12 82.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.075 -0.511 . . . . 74.099999999999994 110.748 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.56 -23.75 67.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.469 -0.332 . . . . 63.0 111.117 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.62 28.61 3.31 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.254 -0.43 . . . . 72.5 111.267 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt 57.23 65.21 1.42 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.296 -0.411 . . . . 71.299999999999997 110.814 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -138.79 71.69 1.39 Allowed 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.127 -0.488 . . . . 74.5 110.867 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -64.16 -30.51 71.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.354 -0.385 . . . . 74.299999999999997 110.908 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.14 -60.25 2.33 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.382 -0.372 . . . . 72.400000000000006 110.793 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -62.23 -44.21 97.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 74.400000000000006 110.918 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.14 -31.35 67.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 72.5 111.216 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -74.64 -46.64 36.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 73.400000000000006 110.917 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -59.54 -37.7 79.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 72.299999999999997 110.94 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mt -74.65 -33.89 62.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 74.400000000000006 110.925 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -59.88 -54.03 50.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 73.400000000000006 110.907 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.71 -44.19 93.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 52.299999999999997 110.866 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -60.23 -37.78 81.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 73.099999999999994 110.88 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.71 -45.85 60.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 71.0 111.121 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.5 t -62.46 -41.27 91.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 74.200000000000003 111.081 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -60.24 -41.55 93.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 74.200000000000003 110.92 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -69.08 -34.33 74.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 74.5 110.907 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.41 ' CZ ' ' HB1' ' A' ' 9' ' ' ALA . 2.6 m-85 -66.54 -49.37 66.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 74.299999999999997 110.883 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.0 mt -60.04 -31.47 70.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 63.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -71.07 -31.3 67.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 74.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.54 -30.8 63.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 72.400000000000006 111.131 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.4 mt -76.11 -49.74 24.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 72.200000000000003 111.113 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -60.09 -41.94 93.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 74.400000000000006 110.883 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -71.83 -73.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 75.299999999999997 110.875 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -132.95 106.47 7.7 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.214 -0.448 . . . . 64.099999999999994 111.161 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.65 -178.95 4.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 75.099999999999994 111.085 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -101.59 -66.93 0.89 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.937 -0.574 . . . . 75.400000000000006 110.908 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 m -163.1 179.78 7.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 62.299999999999997 110.584 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.07 -50.06 75.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.972 0.415 . . . . 72.299999999999997 110.992 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.58 -43.39 97.38 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.94 -0.573 . . . . 71.200000000000003 111.035 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.39 -38.81 88.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 74.400000000000006 110.981 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -60.17 -31.72 70.38 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.947 0.403 . . . . 73.299999999999997 111.02 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -75.79 -43.87 44.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.221 -0.445 . . . . 74.200000000000003 110.849 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.2 m -61.7 -51.55 67.92 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.168 -0.469 . . . . 63.200000000000003 110.777 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.5 mt -61.64 -44.93 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.046 -0.525 . . . . 74.099999999999994 110.959 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 52.9 ttp85 -62.22 -43.65 98.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.423 . . . . 75.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.89 -32.89 66.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.424 . . . . 71.099999999999994 110.98 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.401 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 4.3 tptt -73.84 -31.11 63.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 74.099999999999994 110.752 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.6 m -74.14 -34.84 64.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 72.400000000000006 110.832 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.6 t -66.61 -42.73 90.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 74.5 111.07 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.23 -35.49 80.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 74.099999999999994 110.846 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 59' ' ' LYS . 9.2 m-85 -67.28 -32.4 73.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 73.200000000000003 110.86 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -38.48 78.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 74.400000000000006 110.888 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.19 -56.88 16.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 74.299999999999997 110.893 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -60.09 -46.33 89.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 72.099999999999994 110.849 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.15 -45.43 87.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 74.200000000000003 111.09 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -57.51 -31.75 66.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 74.099999999999994 110.756 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.8 tttp -84.0 -28.53 27.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 62.200000000000003 111.088 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.3 mt -66.68 -43.54 84.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.332 -0.394 . . . . 74.299999999999997 110.847 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -74.8 -42.5 57.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 75.200000000000003 110.86 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.0 -30.53 71.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 75.200000000000003 110.976 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -67.6 -53.39 28.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.02 -0.536 . . . . 71.5 110.869 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.1 mt -59.58 -53.65 55.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 64.200000000000003 110.949 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 116.394 -0.366 . . . . 71.099999999999994 110.959 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.835 0.35 . . . . 72.099999999999994 110.946 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.32 -29.47 65.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 72.400000000000006 110.941 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -58.62 -60.48 3.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 72.299999999999997 111.0 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.99 -29.84 67.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 62.100000000000001 111.006 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 2.8 m -66.62 -46.73 74.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 75.0 110.956 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -61.61 -44.04 97.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 73.299999999999997 110.884 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -62.69 -32.62 73.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 73.5 110.884 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.73 -51.59 68.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 61.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.05 -35.18 74.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 65.5 111.118 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.99 -35.66 80.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 55.299999999999997 111.093 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 7.9 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 64.200000000000003 110.913 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.769 0.319 . . . . 63.399999999999999 110.892 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.33 -44.47 79.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 64.400000000000006 111.124 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -31.38 70.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.303 -0.408 . . . . 75.5 111.312 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -80.33 -31.74 38.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 73.5 110.81 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.88 -39.27 79.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 74.400000000000006 111.116 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.8 mt -77.65 -49.51 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 74.299999999999997 111.084 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -59.25 -31.26 68.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 75.400000000000006 110.932 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.7 mt -71.77 -52.78 15.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 74.5 110.902 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.443 ' CG2' ' CE1' ' A' ' 63' ' ' TYR . 11.6 p -64.08 -35.19 72.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 74.299999999999997 111.116 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 75.0 m -59.26 -49.26 78.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 70.200000000000003 110.886 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt -62.34 -31.82 72.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 74.099999999999994 110.836 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.59 -39.36 80.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 72.5 111.097 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.34 -45.57 92.98 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.143 -0.48 . . . . 62.100000000000001 110.77 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -61.61 -40.79 96.07 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.778 0.323 . . . . 63.399999999999999 110.863 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -59.17 -50.38 74.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.337 -0.392 . . . . 75.200000000000003 110.834 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -57.76 -30.04 65.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 75.400000000000006 111.027 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -80.03 -26.57 39.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 75.299999999999997 111.003 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.35 29.92 3.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.478 -0.328 . . . . 74.200000000000003 111.08 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt 58.25 37.2 26.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 74.200000000000003 111.214 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -120.76 78.75 1.41 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.239 -0.437 . . . . 71.400000000000006 110.979 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' A' ' 73' ' ' TYR . 23.8 m-85 -74.59 -33.82 62.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 71.400000000000006 110.817 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -63.06 -49.12 75.79 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.814 0.34 . . . . 63.399999999999999 110.804 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -69.79 -42.42 73.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 52.399999999999999 110.911 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 32' ' ' TYR . . . -59.69 -45.48 91.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 53.200000000000003 111.129 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.37 -42.79 96.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 72.400000000000006 110.927 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -60.24 -57.87 10.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 74.400000000000006 110.928 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.8 mt -60.49 -31.63 70.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 73.200000000000003 110.915 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 28' ' ' ALA . 2.3 m-85 -64.06 -42.57 96.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 74.099999999999994 110.896 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -60.12 -57.6 12.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 74.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -60.12 -33.38 72.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 75.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.73 -61.91 2.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 75.400000000000006 111.09 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.89 -33.82 53.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 74.5 111.113 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -60.33 -38.78 84.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 71.400000000000006 110.882 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -73.53 -32.04 64.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 73.5 110.913 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -64.57 -53.02 54.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 64.400000000000006 110.875 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.4 mt -60.0 -39.57 86.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 73.400000000000006 110.908 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -60.38 -31.58 70.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 75.400000000000006 110.895 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.03 -31.08 61.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 44.399999999999999 111.134 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 21.9 mt -75.82 -50.88 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 72.400000000000006 111.107 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -31.65 70.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 61.299999999999997 110.879 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -82.44 -74.37 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 72.400000000000006 110.926 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -134.72 111.28 9.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 70.400000000000006 110.939 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -107.52 153.17 23.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.16 0.505 . . . . 60.200000000000003 111.226 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -67.06 -65.82 0.63 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.321 -0.399 . . . . 62.399999999999999 111.034 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.7 m -163.84 -177.03 4.88 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.045 -0.525 . . . . 61.5 111.091 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -62.36 -49.67 74.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.927 0.394 . . . . 74.299999999999997 110.871 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.45 -49.75 76.33 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.119 -0.491 . . . . 70.400000000000006 111.038 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.14 -41.77 93.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 71.299999999999997 111.069 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -60.27 -31.39 70.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 75.200000000000003 110.832 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -68.12 -43.08 79.2 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.068 -0.514 . . . . 74.200000000000003 110.902 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.6 p -60.45 -39.71 88.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 74.299999999999997 111.012 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.422 HD12 HG22 ' A' ' 56' ' ' ILE . 36.1 mt -71.84 -39.3 67.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.958 -0.565 . . . . 70.400000000000006 111.105 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -59.42 -56.29 23.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 73.400000000000006 110.864 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.97 -35.38 69.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 63.100000000000001 110.974 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.405 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 12.4 mmtp -74.53 -30.43 61.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 74.299999999999997 110.735 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 81.4 m -78.85 -40.3 32.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 72.099999999999994 110.849 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.6 t -60.85 -40.79 86.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 75.400000000000006 111.037 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -72.31 -36.51 68.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 73.400000000000006 110.85 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.443 ' CE1' ' CG2' ' A' ' 13' ' ' VAL . 2.5 m-85 -64.49 -33.61 76.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 75.099999999999994 110.87 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.9 mt -72.61 -38.26 67.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 62.100000000000001 110.86 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -60.6 -36.37 78.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 71.299999999999997 110.865 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.0 mmm-85 -71.5 -39.39 70.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 75.299999999999997 110.917 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.67 -49.2 78.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 70.400000000000006 111.073 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -60.13 -38.65 83.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 73.400000000000006 110.874 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.32 -33.93 76.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 63.399999999999999 110.855 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.2 mp -68.46 -34.81 76.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 72.299999999999997 110.843 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -49.25 75.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 74.099999999999994 110.896 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -64.29 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 74.200000000000003 110.927 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' A' ' 25' ' ' TYR . 11.4 t80 -60.54 -43.1 97.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.862 -0.608 . . . . 62.399999999999999 110.802 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mt -84.43 -32.34 24.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.244 0.545 . . . . 73.200000000000003 111.032 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.004 -0.544 . . . . 73.200000000000003 110.931 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.856 0.36 . . . . 74.299999999999997 110.894 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -71.39 -29.4 64.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 74.200000000000003 110.981 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -58.68 -60.42 3.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 74.400000000000006 110.961 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.84 -30.37 68.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 54.299999999999997 110.951 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 31.0 m -60.26 -46.26 90.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 71.400000000000006 110.923 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.43 -39.43 88.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 71.400000000000006 110.903 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 19.3 mtt180 -61.34 -31.61 71.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 73.400000000000006 110.91 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.47 -51.38 44.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 70.400000000000006 110.891 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.48 -43.2 99.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 72.400000000000006 111.087 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.25 -36.65 84.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 72.299999999999997 111.125 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 9.5 tt . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 72.400000000000006 110.894 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.4 m . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.812 0.339 . . . . 63.200000000000003 110.858 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.51 -50.24 59.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 62.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 33.3 tp60 -57.33 -37.41 72.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 75.400000000000006 111.142 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -67.12 -31.37 71.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 70.0 111.104 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.55 -30.56 68.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.013 -0.54 . . . . 73.299999999999997 111.106 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.4 mm -70.41 -48.66 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 63.5 111.106 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -59.41 -34.1 72.05 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.176 -0.465 . . . . 64.099999999999994 111.442 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -70.2 -54.95 10.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.041 -0.527 . . . . 72.099999999999994 110.848 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.4 p -60.5 -36.55 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 63.0 111.113 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.0 m -59.93 -50.93 71.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.400000000000006 110.847 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -60.16 -31.62 70.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 71.299999999999997 110.877 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.79 -38.93 76.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 63.399999999999999 111.092 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.45 -40.8 92.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 71.299999999999997 110.839 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -68.92 -44.65 72.67 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-O 121.122 0.487 . . . . 75.099999999999994 110.95 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -53.46 58.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.557 . . . . 74.400000000000006 110.808 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -57.39 -30.17 64.68 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 116.018 -0.537 . . . . 74.099999999999994 111.225 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -83.93 -25.19 30.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 73.400000000000006 110.984 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.98 29.06 3.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.709 0.29 . . . . 61.399999999999999 111.168 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt 58.86 36.79 24.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.31 -0.404 . . . . 72.200000000000003 110.909 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 -118.9 77.98 1.24 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.94 0.4 . . . . 74.299999999999997 110.766 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.488 ' CE2' ' CE1' ' A' ' 73' ' ' TYR . 17.2 m-85 -68.77 -42.33 77.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.506 . . . . 73.299999999999997 110.905 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.24 -59.85 4.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.329 -0.396 . . . . 74.200000000000003 110.867 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -61.03 -31.67 71.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 71.400000000000006 110.919 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.31 -30.69 67.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 72.099999999999994 111.119 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -71.19 -47.63 56.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 74.5 110.927 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.4 ptm85 -58.98 -36.17 74.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 74.400000000000006 110.913 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -74.64 -46.6 37.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 75.299999999999997 110.875 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -60.41 -39.46 87.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 71.099999999999994 110.901 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -60.19 -56.43 21.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 62.100000000000001 110.885 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.498 ' CD2' ' CE2' ' A' ' 38' ' ' TYR . 1.3 t-160 -61.11 -31.55 71.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 63.399999999999999 110.898 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.36 -61.82 2.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 64.099999999999994 111.151 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.71 -34.18 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 75.5 111.136 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -59.66 -39.57 84.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 74.099999999999994 110.903 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.498 ' CE2' ' CD2' ' A' ' 34' ' ' HIS . 7.9 m-85 -72.19 -34.6 68.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 74.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -65.52 -48.69 71.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 75.5 110.907 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.2 mt -59.46 -38.65 81.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 73.299999999999997 110.938 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -64.39 -31.28 72.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 73.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.64 -33.88 71.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 50.299999999999997 111.064 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.0 mt -71.89 -52.4 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 53.299999999999997 111.122 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -60.13 -31.42 70.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 72.400000000000006 110.915 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -83.28 -73.1 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 75.099999999999994 110.919 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -141.71 115.23 8.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.001 -0.545 . . . . 75.400000000000006 110.659 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -98.03 166.08 11.6 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.12 -0.491 . . . . 74.099999999999994 110.969 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -84.97 -58.06 2.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.386 -0.37 . . . . 61.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.6 p -172.45 179.02 2.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.98 -0.554 . . . . 74.200000000000003 110.695 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.96 -47.35 86.82 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.927 -0.579 . . . . 70.200000000000003 110.854 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -46.43 90.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.354 -0.384 . . . . 51.299999999999997 110.841 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.74 -44.09 74.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 54.299999999999997 110.954 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -60.12 -31.85 70.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 75.200000000000003 110.884 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -74.36 -32.51 62.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 71.099999999999994 110.893 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.89 -33.3 73.54 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.06 -0.518 . . . . 72.099999999999994 110.832 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.4 mt -75.44 -34.98 31.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.957 -0.565 . . . . 74.200000000000003 111.113 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -59.84 -58.26 9.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 75.200000000000003 110.878 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.96 -41.09 82.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 55.100000000000001 111.046 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 8.4 mttp -67.19 -30.34 70.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 74.5 110.818 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 12.9 m -74.02 -40.98 62.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 72.400000000000006 110.862 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.66 -38.78 77.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 71.299999999999997 111.12 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -76.36 -30.77 57.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 61.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 59' ' ' LYS . 3.4 m-85 -69.16 -52.76 24.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 72.299999999999997 110.921 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.6 pp -60.65 -36.56 78.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 65.400000000000006 110.908 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.36 -41.61 94.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 45.200000000000003 110.795 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -70.61 -31.21 68.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 72.099999999999994 110.831 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.93 -58.06 7.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 72.400000000000006 111.109 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.66 -30.93 67.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 74.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -69.55 -31.11 69.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 74.099999999999994 110.885 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 64.8 mt -77.88 -46.98 19.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 64.400000000000006 110.899 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.5 tptt -60.0 -31.36 69.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 74.200000000000003 110.897 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.61 -31.45 41.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 75.200000000000003 110.959 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.488 ' CE1' ' CE2' ' A' ' 25' ' ' TYR . 36.9 t80 -60.15 -43.83 95.45 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.191 -0.458 . . . . 75.400000000000006 110.884 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.8 mt -77.55 -32.59 53.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.327 0.584 . . . . 74.299999999999997 111.139 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 115.972 -0.558 . . . . 74.299999999999997 110.899 -179.829 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.794 0.331 . . . . 73.099999999999994 110.918 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -65.31 -30.66 71.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 71.200000000000003 110.928 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -60.5 3.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.419 . . . . 73.200000000000003 110.934 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.44 -31.45 63.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 73.400000000000006 110.918 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 41.5 t -60.6 -42.94 97.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 72.200000000000003 110.862 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -68.48 -46.18 70.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 63.5 110.926 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 59.5 mtp85 -60.48 -39.77 88.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 74.400000000000006 110.837 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 8.4 tt -62.07 -37.69 85.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 64.200000000000003 110.868 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.83 -48.3 82.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 72.0 111.075 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.87 -30.76 70.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 72.400000000000006 111.06 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 6.0 tt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 74.400000000000006 110.923 179.966 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.834 0.349 . . . . 70.099999999999994 110.922 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.54 -44.76 81.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 74.299999999999997 110.848 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -60.66 -30.66 70.04 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.21 -0.45 . . . . 63.100000000000001 111.27 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.0 mmtt -84.07 -32.36 24.84 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.084 -0.507 . . . . 74.0 110.876 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.48 -37.95 89.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 64.0 111.067 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.3 mt -78.69 -48.69 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 75.099999999999994 111.08 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.75 -30.94 67.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 61.200000000000003 111.074 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.6 mt -71.78 -53.76 12.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 73.400000000000006 110.899 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.416 HG22 ' CZ ' ' A' ' 63' ' ' TYR . 11.8 p -63.14 -34.14 65.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 65.299999999999997 111.1 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 81.0 m -58.47 -53.31 59.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 71.299999999999997 110.926 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -60.41 -31.87 70.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 75.5 110.83 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.59 -41.1 89.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 51.100000000000001 111.008 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.28 -42.72 96.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 75.400000000000006 110.691 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -64.31 -36.31 83.69 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 116.203 -0.453 . . . . 73.099999999999994 110.719 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -71.67 -46.33 59.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.266 -0.424 . . . . 64.400000000000006 110.94 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -62.27 -32.33 73.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.018 -0.537 . . . . 71.400000000000006 110.981 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.1 pttt -88.02 -25.63 23.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 74.299999999999997 111.13 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.98 29.01 3.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.474 -0.33 . . . . 70.099999999999994 111.279 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.1 mttt 56.96 70.49 0.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.302 -0.408 . . . . 74.400000000000006 111.175 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -156.11 77.3 0.94 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.101 -0.499 . . . . 74.200000000000003 110.975 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -76.83 -32.73 57.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 73.099999999999994 110.907 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.49 -47.89 74.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.898 -0.592 . . . . 64.200000000000003 110.992 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.91 -36.33 59.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 75.200000000000003 110.866 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.93 -42.51 89.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 62.5 111.113 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -60.14 -36.43 77.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 61.200000000000003 110.837 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -60.24 -47.11 87.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 73.200000000000003 110.819 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.48 -40.35 85.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 75.400000000000006 110.927 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -59.93 -38.6 82.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 73.200000000000003 110.931 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -61.52 -58.66 7.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 74.400000000000006 110.886 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -63.16 -37.62 87.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 71.400000000000006 110.864 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.96 -55.0 39.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 65.400000000000006 111.089 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.9 t -63.24 -41.2 91.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 71.299999999999997 111.094 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -60.15 -44.37 95.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 75.400000000000006 110.942 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -65.93 -31.69 72.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 72.299999999999997 110.903 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -66.9 -51.74 51.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 73.400000000000006 110.911 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.6 mt -59.82 -39.45 85.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 74.299999999999997 110.899 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -63.09 -31.44 72.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 74.5 110.914 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.58 -31.14 64.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 74.200000000000003 111.099 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.4 mt -75.74 -51.8 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 74.200000000000003 111.101 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -31.62 70.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 62.200000000000003 110.877 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -79.54 -41.53 27.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 75.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -156.58 164.67 37.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 72.200000000000003 111.057 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.51 131.12 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.314 -0.403 . . . . 61.200000000000003 111.012 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -63.43 -58.31 7.45 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.411 -0.359 . . . . 74.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.7 m -156.55 -178.68 7.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 74.400000000000006 110.526 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.62 -35.23 77.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 71.200000000000003 110.799 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.58 -46.87 86.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.391 -0.368 . . . . 74.299999999999997 110.814 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.13 -41.89 94.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.982 -0.554 . . . . 73.400000000000006 111.169 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -60.75 -33.56 73.11 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.277 -0.42 . . . . 51.399999999999999 110.838 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.49 -43.48 60.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.306 -0.406 . . . . 62.399999999999999 110.929 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 95.0 p -60.98 -48.27 82.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 73.200000000000003 110.941 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.8 mt -63.14 -36.88 77.77 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.272 0 CA-C-N 116.394 -0.366 . . . . 72.400000000000006 110.864 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -60.38 -52.65 64.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.349 -0.387 . . . . 74.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.04 -31.38 65.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 71.200000000000003 111.003 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.403 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 20.5 mttm -77.22 -31.13 54.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 72.5 110.766 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 71.6 m -78.09 -34.67 50.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.146 -0.479 . . . . 62.100000000000001 110.784 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 29.8 t -68.02 -40.11 82.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 74.400000000000006 111.02 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -72.44 -32.09 66.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 74.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.416 ' CZ ' HG22 ' A' ' 13' ' ' VAL . 3.0 m-85 -70.8 -34.5 71.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 70.099999999999994 110.859 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.6 mt -69.65 -39.22 77.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 72.299999999999997 110.855 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -60.2 -49.24 78.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 64.200000000000003 110.891 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.5 ttt85 -62.04 -32.21 72.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 74.200000000000003 110.846 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.4 -55.53 33.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 73.400000000000006 111.065 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -58.57 -30.93 67.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 74.0 110.97 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -69.14 -30.95 69.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 73.200000000000003 110.915 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.7 mp -80.59 -50.24 10.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 73.5 110.923 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.04 -31.55 71.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 63.200000000000003 110.924 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.59 -30.94 41.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 74.099999999999994 110.956 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -60.19 -45.49 92.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.88 -0.6 . . . . 73.400000000000006 110.57 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.5 mt -83.79 -41.53 17.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.419 -0.355 . . . . 61.5 110.848 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.321 -0.639 0 CA-C-N 116.204 -0.453 . . . . 71.299999999999997 110.896 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.89 0.376 . . . . 74.0 110.921 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -73.15 -30.04 63.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 74.299999999999997 110.959 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -60.4 3.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 60.399999999999999 110.966 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -70.79 -29.44 65.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 63.100000000000001 110.919 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 35.0 t -65.81 -40.14 91.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.411 . . . . 71.099999999999994 110.931 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -66.83 -46.41 75.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 74.299999999999997 110.901 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -60.3 -32.05 70.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 73.200000000000003 110.896 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.8 tt -63.54 -51.79 63.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 71.5 110.874 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.9 -44.44 94.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 43.399999999999999 111.092 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.47 -31.94 72.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 63.200000000000003 111.118 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 5.1 tp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 74.0 110.918 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.837 0.351 . . . . 74.299999999999997 110.871 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.31 -48.34 82.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 63.100000000000001 110.848 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -58.23 -37.69 75.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 50.200000000000003 110.807 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.7 mmtt -75.24 -30.51 60.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 75.400000000000006 111.295 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.26 -53.4 49.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.018 -0.537 . . . . 52.5 111.043 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.7 mt -64.08 -34.18 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 74.299999999999997 111.082 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.87 -41.22 86.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 65.099999999999994 110.891 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mt -67.34 -40.08 85.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 74.099999999999994 110.817 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.9 t -64.95 -38.09 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 73.400000000000006 111.065 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.06 -57.85 11.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 73.299999999999997 110.953 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -58.49 -26.12 63.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 73.200000000000003 111.076 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 32' ' ' TYR . . . -76.95 -37.85 54.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 73.0 111.084 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -37.36 81.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 74.400000000000006 110.733 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -74.23 -36.87 63.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.701 -0.681 . . . . 65.099999999999994 110.884 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.41 -49.84 44.74 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.833 -0.621 . . . . 74.400000000000006 110.867 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -59.03 -33.16 70.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.096 -0.502 . . . . 75.400000000000006 110.826 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 pttp -88.15 -26.34 22.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.747 0.308 . . . . 71.200000000000003 111.045 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.34 29.7 3.12 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.209 -0.451 . . . . 71.400000000000006 111.209 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.3 mttp 57.77 70.26 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.254 0.55 . . . . 72.0 111.151 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 -154.89 62.33 0.65 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.182 -0.463 . . . . 72.099999999999994 110.658 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.43 ' CE2' ' CE2' ' A' ' 73' ' ' TYR . 23.5 m-85 -64.07 -32.26 73.75 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-O 120.874 0.369 . . . . 74.099999999999994 110.975 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -67.45 -39.98 85.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.964 -0.562 . . . . 72.400000000000006 110.782 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.96 -31.98 27.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 62.100000000000001 110.886 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.77 -43.49 68.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 55.299999999999997 111.159 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.46 -48.51 81.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 73.400000000000006 110.914 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -59.39 -43.12 93.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 74.400000000000006 110.95 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.7 mt -72.1 -42.15 66.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 60.100000000000001 110.826 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.419 ' CZ ' ' HB2' ' A' ' 16' ' ' ALA . 3.7 m-85 -63.16 -38.64 91.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 74.5 110.93 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -59.98 -57.57 12.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 44.399999999999999 110.908 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -60.22 -31.57 70.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 75.099999999999994 110.916 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.05 -51.67 68.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 75.0 111.144 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.58 -39.68 80.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 54.299999999999997 111.121 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -60.58 -31.94 71.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 63.200000000000003 110.908 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -77.86 -32.13 51.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 75.299999999999997 110.863 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -67.65 -53.48 27.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.8 mt -59.41 -42.23 91.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 70.099999999999994 110.922 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.468 ' CE1' ' CZ ' ' A' ' 45' ' ' TYR . 1.2 t-80 -61.29 -31.44 71.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 65.099999999999994 110.922 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.94 -31.13 66.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 74.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.8 mt -73.84 -48.85 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 74.400000000000006 111.105 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.417 ' HD3' ' CD2' ' A' ' 41' ' ' HIS . 0.1 OUTLIER -64.48 -36.71 85.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 75.400000000000006 110.884 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.468 ' CZ ' ' CE1' ' A' ' 41' ' ' HIS . 2.3 m-85 -70.42 -72.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 74.200000000000003 110.871 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -131.3 109.01 10.06 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.209 -0.451 . . . . 71.099999999999994 110.938 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -107.57 166.3 10.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 72.0 111.132 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -101.81 -63.3 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 75.400000000000006 110.856 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.4 m -157.87 178.41 10.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 72.5 110.994 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -60.96 -37.27 81.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 74.299999999999997 110.841 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -54.96 31.97 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.153 -0.476 . . . . 73.200000000000003 110.864 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.94 95.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 71.5 111.194 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.5 mtmt -60.4 -31.63 70.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.082 -0.508 . . . . 53.200000000000003 110.68 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -76.42 -45.7 30.4 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.906 0.384 . . . . 72.5 110.936 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 76.2 p -60.36 -43.47 96.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.091 -0.504 . . . . 74.0 111.055 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.7 mt -67.53 -41.58 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 72.400000000000006 110.905 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -66.85 -44.79 80.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 64.099999999999994 110.869 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.32 -35.73 67.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 75.099999999999994 111.02 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.62 -30.94 64.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 71.299999999999997 110.724 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 66.9 m -73.85 -36.28 64.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 72.400000000000006 110.847 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.5 t -62.96 -49.98 81.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 64.099999999999994 111.067 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -62.82 -33.99 76.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 72.099999999999994 110.878 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -69.13 -34.61 75.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 74.299999999999997 110.856 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.59 -42.92 98.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 74.099999999999994 110.814 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.38 -48.78 80.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 73.299999999999997 110.907 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 -59.78 -44.03 94.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 71.200000000000003 110.883 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.67 -45.43 85.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 63.100000000000001 111.119 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -57.6 -34.6 69.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 62.100000000000001 110.686 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.83 -29.76 40.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.104 -0.498 . . . . 74.299999999999997 111.06 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.7 mt -64.93 -52.77 54.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 72.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -66.57 -37.35 84.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 75.400000000000006 110.848 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -66.35 -31.06 71.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.099999999999994 110.84 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.43 ' CE2' ' CE2' ' A' ' 25' ' ' TYR . 79.9 t80 -66.21 -52.48 47.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.867 0.365 . . . . 73.400000000000006 110.906 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mt -68.15 -44.81 75.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 74.400000000000006 110.981 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.236 -0.438 . . . . 72.5 111.154 179.881 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.862 0.363 . . . . 74.5 110.914 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -69.58 -29.88 67.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 75.200000000000003 110.99 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -59.08 -60.42 3.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 74.099999999999994 111.008 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.21 -29.59 64.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 73.400000000000006 110.939 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 38.9 t -60.7 -50.47 73.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 74.5 110.877 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -63.91 -41.33 97.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 73.099999999999994 110.885 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 -60.19 -40.92 91.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 75.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.6 tt -62.16 -37.19 84.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 63.200000000000003 110.872 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.85 -46.18 90.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 72.400000000000006 111.103 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.37 -31.19 57.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 71.299999999999997 111.062 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 73.299999999999997 110.89 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.755 0.312 . . . . 64.400000000000006 110.898 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 mp -60.28 -43.81 95.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 54.0 110.833 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -60.02 -38.09 81.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 72.5 110.984 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.02 -36.27 48.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 71.400000000000006 111.025 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.44 -47.91 84.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.047 -0.524 . . . . 70.099999999999994 111.056 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.5 mt -63.57 -53.55 43.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 63.100000000000001 111.04 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.65 -31.14 67.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.200000000000003 110.973 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.9 mt -72.09 -50.9 24.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 54.100000000000001 110.897 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.421 HG23 ' CZ ' ' A' ' 63' ' ' TYR . 11.9 p -66.99 -34.72 71.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 64.400000000000006 111.119 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.0 m -58.52 -55.21 38.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 74.299999999999997 110.86 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -31.48 69.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 74.400000000000006 110.852 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.417 ' HB1' ' CE1' ' A' ' 32' ' ' TYR . . . -67.71 -34.06 76.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 75.200000000000003 110.985 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.17 -36.59 77.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 75.299999999999997 110.717 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -68.62 -44.42 74.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.393 -0.367 . . . . 72.5 110.738 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.03 -51.92 67.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 71.299999999999997 110.959 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -57.93 -30.36 65.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 62.399999999999999 111.105 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -83.5 -27.96 29.03 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-N 116.477 -0.329 . . . . 74.400000000000006 110.806 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.33 29.11 3.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.789 0.328 . . . . 72.299999999999997 111.289 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mttm 58.14 70.35 0.66 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.266 0.555 . . . . 75.299999999999997 111.168 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -152.56 74.27 1.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.04 -0.527 . . . . 72.200000000000003 110.818 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.42 ' CD1' HD23 ' A' ' 70' ' ' LEU . 11.4 m-85 -69.1 -31.7 70.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 74.299999999999997 110.769 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -72.32 -38.17 68.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.861 0.362 . . . . 74.299999999999997 110.78 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -83.02 -30.33 28.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 62.0 110.957 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.403 ' O ' ' CD2' ' A' ' 32' ' ' TYR . . . -72.85 -43.71 62.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 72.099999999999994 111.159 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 tt -59.64 -54.18 49.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 72.099999999999994 110.897 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -36.55 73.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 71.299999999999997 111.016 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mt -76.53 -31.53 57.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 74.200000000000003 110.884 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.418 ' CE2' ' HD3' ' A' ' 66' ' ' ARG . 8.6 m-85 -69.85 -48.41 58.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 75.400000000000006 110.969 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -59.54 -45.84 90.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 72.400000000000006 110.949 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -60.49 -37.62 81.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 71.299999999999997 110.936 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.45 -57.36 7.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 74.200000000000003 111.072 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.63 -32.7 49.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 63.399999999999999 111.105 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -60.21 -45.41 93.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 64.299999999999997 110.907 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -68.86 -31.53 70.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 74.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -68.1 -42.2 80.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 73.200000000000003 110.903 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.6 mt -60.17 -47.74 84.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 65.400000000000006 110.906 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -63.41 -31.31 72.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 72.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.37 -33.65 74.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 72.099999999999994 111.132 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.2 mt -72.22 -53.09 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 70.299999999999997 111.085 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -60.05 -31.36 69.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 74.400000000000006 110.929 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -79.32 -50.85 10.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 75.099999999999994 110.862 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -142.0 158.58 43.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 64.0 110.857 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.24 130.14 0.29 Allowed 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 116.077 -0.51 . . . . 72.400000000000006 111.012 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -60.34 -74.58 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.068 -0.514 . . . . 73.200000000000003 110.886 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.9 t -146.24 -171.81 3.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 72.099999999999994 110.752 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -64.71 -39.17 93.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 74.400000000000006 110.9 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -60.54 -52.36 65.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.294 -0.412 . . . . 75.299999999999997 110.998 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.98 -43.17 99.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 73.200000000000003 111.178 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -60.09 -31.46 70.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.308 -0.405 . . . . 65.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.98 -43.34 65.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 74.099999999999994 110.936 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.5 p -60.32 -46.98 87.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 74.299999999999997 110.702 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 34.4 mt -69.78 -37.64 74.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 116.24 -0.436 . . . . 65.299999999999997 110.848 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -69.16 -47.51 64.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 62.5 110.884 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.73 -36.32 67.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 75.200000000000003 111.013 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.403 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 44.2 mttt -72.2 -30.72 65.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.053 -0.521 . . . . 72.400000000000006 110.764 179.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 81.3 m -74.79 -37.85 62.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 64.299999999999997 110.841 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.96 -45.2 99.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 74.099999999999994 111.069 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -70.48 -35.8 73.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 62.100000000000001 110.85 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.421 ' CZ ' HG23 ' A' ' 13' ' ' VAL . 3.0 m-85 -66.91 -34.55 78.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 74.299999999999997 110.827 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.24 -31.34 64.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 74.400000000000006 110.903 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -62.91 -50.37 71.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 63.399999999999999 110.889 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.418 ' HD3' ' CE2' ' A' ' 32' ' ' TYR . 4.7 ptp85 -64.9 -34.02 77.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 63.399999999999999 110.896 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.18 -53.06 62.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 73.299999999999997 111.089 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -59.87 -31.21 69.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 73.400000000000006 110.892 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -68.78 -41.41 78.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 51.399999999999999 110.878 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.42 HD23 ' CD1' ' A' ' 25' ' ' TYR . 64.6 mt -64.21 -31.09 72.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 74.200000000000003 110.897 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -69.83 -39.98 76.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 75.0 110.82 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -66.3 -31.26 71.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 72.200000000000003 110.897 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -65.25 -56.15 14.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 72.5 110.879 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.0 mt -65.13 -31.52 72.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.308 -0.406 . . . . 73.400000000000006 111.037 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 116.116 -0.493 . . . . 75.299999999999997 111.144 -179.914 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.794 0.33 . . . . 74.0 110.89 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -72.83 -29.11 62.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 62.399999999999999 110.984 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -58.3 -60.41 3.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 74.099999999999994 110.977 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.46 -29.93 68.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 37.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 22.7 t -62.41 -41.44 98.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 53.200000000000003 110.891 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -68.92 -43.11 75.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 73.099999999999994 110.934 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 24.9 mtt-85 -60.27 -32.39 71.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 74.400000000000006 110.908 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.4 tt -69.22 -42.85 75.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 71.099999999999994 110.869 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.83 -47.58 85.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 64.5 111.129 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.08 -35.91 80.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 73.5 111.091 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 24.6 tp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 74.099999999999994 110.916 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.828 0.347 . . . . 65.099999999999994 110.902 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.36 -43.33 96.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 75.099999999999994 110.886 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -60.38 -37.39 80.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 65.400000000000006 111.079 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -77.11 -31.67 55.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 74.099999999999994 111.141 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -63.75 -52.38 60.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 65.099999999999994 111.095 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.4 mt -63.74 -39.77 86.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 74.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.05 -37.98 81.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 53.399999999999999 111.197 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.3 mt -71.73 -37.83 70.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 74.200000000000003 110.932 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.2 t -66.97 -41.95 88.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 71.5 111.056 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 m -58.3 -50.12 74.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 74.299999999999997 110.928 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -60.39 -30.74 69.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 74.099999999999994 110.909 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.94 -34.39 57.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 75.299999999999997 111.044 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.44 -40.49 91.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 62.0 110.69 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -70.89 -44.6 65.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 75.099999999999994 110.802 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -58.72 -56.21 25.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 62.299999999999997 110.9 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -56.94 -30.24 63.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.967 -0.56 . . . . 74.099999999999994 110.881 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -85.25 -25.01 27.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.357 -0.383 . . . . 72.099999999999994 111.004 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.01 29.64 3.02 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.143 -0.481 . . . . 73.0 111.289 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt 58.99 41.53 20.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.409 . . . . 73.400000000000006 111.235 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -126.82 78.16 1.78 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.145 -0.479 . . . . 74.400000000000006 111.027 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.405 ' CD1' HD23 ' A' ' 70' ' ' LEU . 20.2 m-85 -73.85 -32.37 63.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.764 -0.653 . . . . 72.5 110.923 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -60.14 -60.0 4.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.341 -0.39 . . . . 71.099999999999994 110.878 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -64.73 -35.78 82.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 73.099999999999994 110.943 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.43 -46.75 87.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 65.400000000000006 111.1 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.401 ' CD1' ' NE2' ' A' ' 33' ' ' GLN . 3.2 tm? -61.15 -39.51 90.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 65.200000000000003 110.901 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -60.33 -51.45 69.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 72.099999999999994 110.915 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.0 mt -73.83 -31.46 63.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 75.200000000000003 110.889 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -62.36 -50.83 70.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 75.400000000000006 110.919 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.401 ' NE2' ' CD1' ' A' ' 29' ' ' LEU . 36.5 mt-30 -60.01 -50.13 74.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 75.099999999999994 110.921 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -60.3 -32.97 71.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 63.399999999999999 110.928 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.77 -58.18 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 65.0 111.13 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.66 -34.13 54.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 61.200000000000003 111.133 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.53 -49.62 76.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 72.200000000000003 110.897 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -61.81 -34.79 76.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 75.200000000000003 110.937 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.416 ' CZ ' ' HB2' ' A' ' 9' ' ' ALA . 2.3 m-85 -62.23 -51.29 68.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 75.5 110.907 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.9 mt -59.9 -40.32 88.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 74.400000000000006 110.925 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -60.7 -31.51 70.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 70.200000000000003 110.936 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.1 -31.05 62.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 60.299999999999997 111.113 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 21.8 mt -74.61 -50.94 24.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 74.299999999999997 111.108 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.1 -31.38 69.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 63.399999999999999 110.943 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -80.85 -66.35 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 75.299999999999997 110.899 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -139.68 116.08 10.6 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.151 -0.477 . . . . 71.099999999999994 110.862 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -104.58 177.13 4.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 75.200000000000003 111.217 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -105.17 -53.63 2.63 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.87 0.367 . . . . 63.100000000000001 110.957 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 m -175.55 -176.62 0.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 70.099999999999994 110.874 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.06 -46.09 90.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.973 -0.558 . . . . 73.400000000000006 110.874 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.7 tttt -60.8 -39.97 90.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.287 -0.415 . . . . 62.100000000000001 110.791 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.5 -42.99 70.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 75.099999999999994 111.207 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.6 mtmm -60.21 -31.71 70.42 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.075 -0.511 . . . . 75.200000000000003 110.948 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -73.74 -43.15 59.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 65.200000000000003 110.855 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.29 -43.53 81.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.271 -0.422 . . . . 64.299999999999997 110.946 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.4 mt -69.5 -45.09 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 74.299999999999997 110.977 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.1 ttp85 -66.82 -45.53 77.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 75.200000000000003 110.857 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.8 -33.64 66.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 75.0 111.024 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -74.2 -30.61 62.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 62.399999999999999 110.797 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 64.2 m -74.92 -34.02 62.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 73.099999999999994 110.855 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.72 -50.21 72.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 63.100000000000001 111.075 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -64.38 -31.49 72.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 71.299999999999997 110.925 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -71.07 -37.4 72.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 74.099999999999994 110.866 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.74 -46.46 90.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 75.200000000000003 110.912 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -60.72 -42.27 96.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 70.400000000000006 110.917 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.3 mtp180 -67.82 -43.51 79.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 70.400000000000006 110.857 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.8 -49.87 76.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 71.400000000000006 111.16 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -59.78 -31.07 69.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 71.5 110.887 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -33.63 73.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 74.299999999999997 110.917 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.405 HD23 ' CD1' ' A' ' 25' ' ' TYR . 74.5 mt -68.22 -54.01 20.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 54.399999999999999 110.884 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -60.35 -35.16 75.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 75.400000000000006 110.926 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -67.06 -31.61 72.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 74.400000000000006 110.89 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -71.94 -37.14 70.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 75.299999999999997 110.721 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.9 mt -85.13 -31.9 23.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.902 0.382 . . . . 71.099999999999994 110.781 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.1 ttm-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 74.400000000000006 110.872 179.993 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.82 0.343 . . . . 71.299999999999997 110.904 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.61 -30.25 68.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 64.099999999999994 110.966 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -59.04 -60.45 3.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.426 . . . . 73.099999999999994 110.953 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.19 -30.35 64.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 64.099999999999994 110.931 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 39.9 t -60.23 -49.4 77.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 70.099999999999994 110.862 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -46.26 87.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.400000000000006 110.896 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -63.15 -31.38 72.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 64.200000000000003 110.899 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.17 -53.97 51.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 73.5 110.92 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.04 -31.32 69.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 70.200000000000003 111.101 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.99 -39.81 29.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 63.0 111.093 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 6.2 tp . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 73.299999999999997 110.952 179.952 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.835 0.35 . . . . 74.200000000000003 110.876 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.89 -56.9 15.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 73.099999999999994 111.162 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -61.6 -45.8 92.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.415 . . . . 74.299999999999997 110.985 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -65.76 -32.11 73.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 74.400000000000006 110.69 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.83 -57.13 9.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 73.099999999999994 111.11 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.0 mt -61.62 -33.61 58.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 74.299999999999997 111.029 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -60.28 -39.29 86.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 71.099999999999994 110.904 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 mt -68.89 -37.42 78.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 71.400000000000006 110.924 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.416 HG13 ' CZ ' ' A' ' 63' ' ' TYR . 22.0 t -64.02 -50.1 78.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 75.299999999999997 111.118 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -57.77 -34.88 70.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 73.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -73.85 -27.38 61.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 73.099999999999994 111.043 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.74 -40.76 24.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.332 -0.395 . . . . 63.0 111.045 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -44.98 94.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 70.099999999999994 110.705 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -69.24 -39.22 78.63 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.192 -0.458 . . . . 63.200000000000003 110.891 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -60.65 -55.86 28.19 Favored 'General case' 0 CA--C 1.524 -0.042 0 CA-C-N 115.973 -0.558 . . . . 74.0 111.051 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -57.29 -30.21 64.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.497 -0.32 . . . . 74.400000000000006 110.935 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -83.96 -27.48 28.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.979 -0.555 . . . . 64.299999999999997 111.073 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.29 32.97 2.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.139 -0.482 . . . . 64.0 111.32 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp 58.97 71.34 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 73.099999999999994 110.959 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -160.57 78.19 0.62 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.22 -0.445 . . . . 73.299999999999997 110.996 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' A' ' 73' ' ' TYR . 51.4 m-85 -75.1 -31.35 61.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.863 -0.608 . . . . 75.200000000000003 110.861 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -66.48 -48.33 70.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 75.200000000000003 110.866 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -71.54 -43.46 66.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 64.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.75 -44.22 93.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 72.200000000000003 111.133 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.7 tt -60.26 -48.99 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 74.200000000000003 110.897 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -61.89 -50.57 71.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 72.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.2 mt -60.16 -31.5 70.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 71.200000000000003 110.903 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -68.85 -31.55 70.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 74.400000000000006 110.905 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -74.35 -49.31 23.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 73.099999999999994 110.924 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -60.5 -42.1 95.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 75.099999999999994 110.895 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.0 -51.87 67.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 75.099999999999994 111.09 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.8 t -63.23 -38.95 83.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 73.099999999999994 111.054 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -60.63 -37.47 81.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 72.299999999999997 110.899 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -73.42 -31.9 64.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 74.099999999999994 110.874 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -70.41 -46.77 63.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 74.400000000000006 110.922 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.2 mt -60.28 -38.38 83.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 73.299999999999997 110.875 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.484 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 2.8 t-80 -73.16 -31.41 64.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 74.099999999999994 110.906 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.94 -43.99 64.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 74.099999999999994 111.1 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.5 mt -77.25 -31.16 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 73.5 111.154 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -67.59 -41.93 83.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 72.099999999999994 110.853 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.484 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 6.0 m-85 -79.21 -37.2 38.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 71.200000000000003 110.938 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -150.71 128.26 11.48 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.188 -0.46 . . . . 64.299999999999997 111.032 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -129.06 143.1 50.75 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.271 -0.422 . . . . 70.099999999999994 111.134 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -68.21 -67.63 0.45 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.369 -0.378 . . . . 65.299999999999997 110.718 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.86 -177.76 6.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 64.299999999999997 110.697 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.8 -46.69 89.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 64.299999999999997 110.672 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 tttp -60.34 -52.58 64.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 62.200000000000003 110.92 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.16 -43.4 95.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 54.100000000000001 110.868 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -59.95 -49.7 76.66 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.168 -0.469 . . . . 75.400000000000006 110.732 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.04 -29.47 67.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.874 0.369 . . . . 72.299999999999997 111.03 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 t -81.1 -49.28 11.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 44.5 110.775 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 5.5 mt -60.69 -38.11 77.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.376 -0.375 . . . . 62.5 110.833 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -71.82 -37.35 70.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 72.5 110.838 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.403 ' N ' ' HG3' ' A' ' 57' ' ' ARG . . . -57.1 -41.05 78.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.958 0.409 . . . . 74.0 110.757 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.405 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 5.7 tttt -70.82 -34.55 71.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.973 -0.558 . . . . 51.100000000000001 110.494 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 76.9 m -69.82 -37.29 76.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 72.299999999999997 110.718 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.43 -45.81 97.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 71.099999999999994 110.979 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.59 -35.7 80.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 71.099999999999994 110.843 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.416 ' CZ ' HG13 ' A' ' 13' ' ' VAL . 18.9 m-85 -68.2 -33.07 73.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 74.200000000000003 110.88 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -67.66 -34.79 77.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 70.200000000000003 110.861 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.61 -41.76 83.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 73.200000000000003 110.842 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -60.09 -43.07 95.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 72.299999999999997 110.849 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.81 -50.63 73.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 73.299999999999997 111.036 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -58.69 -52.11 67.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 75.5 110.792 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.3 tttp -61.67 -30.96 71.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 74.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.6 mp -71.16 -34.66 71.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 74.400000000000006 110.843 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -63.0 -46.21 88.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 73.200000000000003 110.872 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.58 -30.83 71.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 64.099999999999994 110.976 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' A' ' 25' ' ' TYR . 29.5 t80 -60.18 -45.4 93.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 74.299999999999997 110.849 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.1 mt -84.49 -31.4 24.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.214 -0.448 . . . . 74.400000000000006 110.926 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.082 -0.508 . . . . 74.400000000000006 111.018 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.825 0.345 . . . . 75.400000000000006 110.933 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -80.37 -25.45 39.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 74.0 111.096 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -57.26 -60.4 3.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.347 -0.388 . . . . 62.200000000000003 111.091 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.47 -31.03 65.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 61.200000000000003 110.901 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 38.6 t -60.45 -48.31 82.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 70.400000000000006 110.885 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -63.6 -45.69 89.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 64.099999999999994 110.908 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 43.5 mtt-85 -63.84 -31.45 72.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 75.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.02 -54.0 51.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 74.5 110.953 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.42 -37.3 80.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 54.100000000000001 111.051 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.62 -34.39 74.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 64.299999999999997 111.132 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.6 tp . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 73.299999999999997 110.85 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.83 0.347 . . . . 71.200000000000003 110.917 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.32 -48.57 27.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 75.5 110.878 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -60.42 -45.61 92.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 71.5 110.97 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -64.41 -31.56 72.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 73.400000000000006 110.889 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.417 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . . . -61.59 -56.79 16.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 75.400000000000006 111.112 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.1 mt -62.72 -38.57 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 71.099999999999994 111.024 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.81 -46.09 90.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 74.200000000000003 111.168 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.1 mt -61.9 -40.45 95.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 71.400000000000006 110.854 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.2 t -65.01 -44.01 96.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 71.400000000000006 111.026 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.5 m -54.93 -37.85 66.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 73.200000000000003 111.052 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -72.49 -30.18 64.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 75.200000000000003 110.878 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.411 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . . . -75.89 -42.82 48.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 54.399999999999999 111.015 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -38.23 83.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 61.399999999999999 110.599 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -72.66 -32.61 65.97 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.539 -0.3 . . . . 74.200000000000003 110.728 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -76.92 -48.56 17.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.643 0.258 . . . . 62.5 110.841 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -58.65 -30.43 67.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.561 -0.291 . . . . 74.400000000000006 110.988 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.1 -22.68 24.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 75.099999999999994 111.052 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.57 29.77 2.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.786 0.327 . . . . 53.399999999999999 111.319 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt 59.33 41.96 18.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 73.299999999999997 111.06 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -128.11 76.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.236 -0.438 . . . . 75.200000000000003 110.777 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.413 ' CD1' HD21 ' A' ' 70' ' ' LEU . 17.2 m-85 -73.12 -34.15 65.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 74.400000000000006 110.961 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -67.8 -38.24 83.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 72.5 110.863 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -82.96 -32.15 27.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 74.400000000000006 110.941 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.32 -34.31 63.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 62.5 111.117 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.93 -55.56 16.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 63.399999999999999 110.962 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.3 ppt_? -59.37 -33.21 70.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 73.0 110.963 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.0 mt -75.74 -31.39 59.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 62.299999999999997 110.965 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.411 ' CD2' ' HB3' ' A' ' 16' ' ' ALA . 2.2 m-85 -73.89 -48.56 30.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 72.5 110.93 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -59.56 -37.8 79.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 64.5 110.963 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -64.2 -43.3 95.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 74.200000000000003 110.926 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.51 -45.11 63.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 54.200000000000003 111.134 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.2 t -61.12 -37.72 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 62.200000000000003 111.106 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -40.12 94.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 71.200000000000003 110.894 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -71.05 -33.56 70.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 65.099999999999994 110.885 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.417 ' CE1' ' HB3' ' A' ' 9' ' ' ALA . 2.6 m-85 -60.43 -54.11 49.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 74.5 110.902 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 44.9 mt -60.13 -35.79 76.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 74.400000000000006 110.882 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -61.09 -31.38 71.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 72.5 110.941 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.8 -29.98 45.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 74.400000000000006 111.132 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 21.6 mt -74.11 -32.01 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 61.299999999999997 111.08 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -32.12 40.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 72.200000000000003 110.958 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -80.44 -75.01 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.299999999999997 110.892 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -130.78 123.17 28.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 74.400000000000006 110.799 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -119.81 173.86 6.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.077 -0.511 . . . . 74.099999999999994 111.323 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -90.93 -48.79 6.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.988 -0.551 . . . . 75.400000000000006 110.914 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.28 179.6 1.21 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.317 -0.402 . . . . 52.200000000000003 111.231 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.5 -51.41 69.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.953 0.406 . . . . 75.099999999999994 110.865 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.6 tttm -59.99 -52.31 65.94 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.066 -0.516 . . . . 74.200000000000003 110.699 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.83 -44.12 94.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 44.399999999999999 111.036 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -59.73 -42.57 93.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.01 -0.541 . . . . 71.299999999999997 110.868 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.68 -31.59 70.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.382 -0.372 . . . . 64.5 110.882 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.5 t -69.7 -35.69 75.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.198 -0.456 . . . . 73.299999999999997 110.862 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.9 mt -73.07 -30.92 33.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 71.400000000000006 111.058 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.5 mpp_? -72.32 -50.08 29.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 74.400000000000006 110.868 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.04 -45.34 75.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 71.299999999999997 111.137 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.5 pttt -64.93 -32.49 74.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 62.200000000000003 110.758 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 52.9 m -73.4 -43.46 60.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 71.299999999999997 110.913 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.4 t -58.63 -37.87 67.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 62.299999999999997 111.12 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -70.78 -36.26 72.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 71.299999999999997 110.895 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -67.16 -32.04 72.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 72.400000000000006 110.923 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.81 -35.74 67.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 74.200000000000003 110.875 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.41 -54.37 46.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 54.100000000000001 110.849 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -43.65 95.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 72.5 110.856 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.19 -45.67 87.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 70.099999999999994 111.072 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -56.89 -35.39 68.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 73.099999999999994 110.746 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -78.59 -28.92 45.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.037 -0.528 . . . . 65.299999999999997 111.032 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.413 HD21 ' CD1' ' A' ' 25' ' ' TYR . 31.8 mt -66.01 -49.04 69.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.352 -0.386 . . . . 74.200000000000003 110.82 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -65.31 -43.22 91.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 73.400000000000006 110.897 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.48 -31.2 71.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 75.099999999999994 110.892 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -64.71 -53.31 49.32 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 121.109 0.48 . . . . 75.299999999999997 111.242 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.0 mt -66.76 -31.53 72.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.963 -0.562 . . . . 75.200000000000003 110.942 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 . . . . . 0 C--N 1.322 -0.589 0 CA-C-O 121.034 0.445 . . . . 71.299999999999997 111.1 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.786 0.327 . . . . 73.200000000000003 110.882 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -74.7 -41.08 60.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 62.5 110.912 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -57.01 10.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 63.399999999999999 110.907 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 pp -60.16 -36.89 78.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 70.099999999999994 110.903 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 6.0 m -63.21 -40.0 96.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 73.200000000000003 110.911 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 55.1 ttt-85 -60.47 -41.64 94.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 61.299999999999997 110.907 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -40.38 90.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 64.299999999999997 110.906 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.32 -44.44 95.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 75.099999999999994 110.914 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.99 93.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 54.5 111.114 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.34 -31.11 70.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 64.5 111.131 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 8.2 tp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 75.099999999999994 110.892 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.8 m . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.865 0.364 . . . . 64.200000000000003 110.838 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.9 -46.1 86.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 75.400000000000006 110.923 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -48.32 82.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 37.399999999999999 110.946 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -64.77 -31.65 72.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 72.400000000000006 110.721 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.1 -56.45 12.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 74.299999999999997 111.161 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 mt -59.23 -35.31 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 73.299999999999997 111.058 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -59.35 -42.39 91.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 75.099999999999994 110.864 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.2 mt -64.63 -36.42 84.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.502 . . . . 63.299999999999997 110.872 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.442 ' CG1' ' CZ ' ' A' ' 63' ' ' TYR . 25.8 t -66.09 -48.82 80.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 64.299999999999997 111.06 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.78 -26.8 66.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 75.200000000000003 111.004 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -76.15 -32.46 59.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 74.099999999999994 110.838 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.417 ' HB2' ' CE1' ' A' ' 32' ' ' TYR . . . -76.27 -44.44 37.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 62.5 111.14 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.9 t -60.08 -46.62 88.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 73.5 110.935 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -59.75 -45.35 92.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 75.0 110.707 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.86 -30.28 70.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 73.299999999999997 110.67 179.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.84 -34.56 77.58 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.865 -0.607 . . . . 74.299999999999997 110.932 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.04 -24.19 23.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 70.400000000000006 111.244 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.65 25.34 4.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.156 -0.475 . . . . 65.200000000000003 111.334 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.8 mttt 54.71 68.17 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.482 -0.326 . . . . 70.099999999999994 111.066 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -143.07 60.94 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.913 0.387 . . . . 71.5 110.858 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.5 ' CE2' ' CE1' ' A' ' 73' ' ' TYR . 13.8 m-85 -64.64 -31.48 72.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 72.299999999999997 110.854 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -71.28 -36.29 71.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.779 0.324 . . . . 74.400000000000006 110.853 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -83.0 -45.97 13.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 72.299999999999997 110.956 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.79 -30.49 65.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 60.399999999999999 111.218 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.8 tt -63.26 -56.37 17.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.413 . . . . 73.299999999999997 110.905 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -59.31 -34.58 72.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 72.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.5 mt -72.59 -31.18 64.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 65.5 110.897 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.417 ' CE1' ' HB2' ' A' ' 16' ' ' ALA . 6.8 m-85 -73.08 -45.47 57.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 74.400000000000006 110.913 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -59.5 -38.87 82.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 74.099999999999994 110.93 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 -66.88 -44.37 81.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 74.200000000000003 110.904 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.11 -57.48 12.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 75.0 111.101 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.6 t -59.6 -41.15 84.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 63.0 111.091 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -60.25 -50.29 74.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 74.200000000000003 110.88 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -63.45 -31.44 72.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 64.200000000000003 110.877 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -69.28 -43.03 74.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 75.099999999999994 110.916 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.7 mt -60.2 -35.59 75.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 75.400000000000006 110.891 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -74.36 -31.25 62.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 74.400000000000006 110.893 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.75 -30.84 67.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 63.100000000000001 111.15 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.0 mt -71.86 -54.96 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 71.099999999999994 111.061 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -31.52 70.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 72.200000000000003 110.926 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -76.94 -74.47 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 73.400000000000006 110.902 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -134.83 121.62 20.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 73.299999999999997 110.666 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -118.32 150.82 38.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.101 -0.499 . . . . 75.0 111.008 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -68.14 -66.75 0.53 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.048 -0.524 . . . . 75.400000000000006 111.038 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 p -160.75 -177.52 6.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.082 -0.508 . . . . 65.200000000000003 110.982 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -64.77 -47.98 76.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.951 0.405 . . . . 71.200000000000003 111.039 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -60.52 -45.73 92.73 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.991 -0.55 . . . . 72.299999999999997 111.039 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.76 97.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 74.299999999999997 111.127 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -60.39 -31.5 70.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.969 -0.56 . . . . 73.299999999999997 110.744 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -71.41 -39.17 71.27 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.278 -0.419 . . . . 73.299999999999997 110.884 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.4 t -71.03 -46.2 62.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 64.299999999999997 110.798 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.5 mt -62.37 -31.29 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 73.400000000000006 111.007 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -65.63 -51.06 62.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 72.400000000000006 110.878 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.04 -32.97 66.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 71.200000000000003 111.103 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -71.45 -30.77 66.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 110.847 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 70.8 m -79.52 -46.26 17.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 74.400000000000006 110.898 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.8 t -58.86 -31.57 45.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 74.299999999999997 111.131 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -78.18 -41.55 34.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 74.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.442 ' CZ ' ' CG1' ' A' ' 13' ' ' VAL . 9.4 m-85 -71.17 -31.73 68.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 74.200000000000003 110.889 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 tt -70.34 -40.79 73.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 62.299999999999997 110.866 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -65.74 -34.4 78.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 75.299999999999997 110.912 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -67.79 -39.7 84.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 74.299999999999997 110.885 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.64 -50.51 73.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 54.100000000000001 111.128 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -60.21 -31.8 70.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 72.200000000000003 110.905 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 57.3 tttt -66.97 -40.84 87.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 72.5 110.93 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.1 mt -64.82 -31.89 73.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 71.200000000000003 110.904 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -66.16 -44.21 84.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 73.400000000000006 110.885 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.63 -31.27 66.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 75.099999999999994 110.875 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.5 ' CE1' ' CE2' ' A' ' 25' ' ' TYR . 12.8 t80 -60.31 -42.33 95.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.971 -0.559 . . . . 74.299999999999997 110.907 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.5 mt -83.74 -40.6 18.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.154 -0.475 . . . . 75.099999999999994 110.985 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 63.299999999999997 111.178 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.769 0.318 . . . . 75.400000000000006 110.879 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -69.88 -30.09 67.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 73.299999999999997 110.984 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -59.06 -60.36 4.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 74.099999999999994 110.955 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.85 -29.68 64.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 72.099999999999994 110.954 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 38.2 t -60.98 -41.81 97.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 74.400000000000006 110.926 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 26.1 mtm180 -70.83 -43.0 69.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 75.200000000000003 110.877 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -60.59 -31.95 71.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 75.200000000000003 110.904 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.4 tt -70.3 -43.31 70.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 62.399999999999999 110.864 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.07 -31.3 69.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 73.200000000000003 111.074 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.67 -34.47 53.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 64.299999999999997 111.078 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 3.4 tp . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 74.200000000000003 110.916 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.5 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.804 0.335 . . . . 73.400000000000006 110.871 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.49 -47.93 37.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 74.099999999999994 110.905 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -60.34 -39.89 88.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.221 -0.445 . . . . 75.400000000000006 110.783 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -72.17 -37.85 69.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 63.200000000000003 110.882 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 39' ' ' PHE . . . -63.14 -47.13 84.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 73.200000000000003 111.082 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.6 mt -63.55 -49.43 82.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 60.100000000000001 111.079 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.47 -31.2 69.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 70.400000000000006 110.927 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.5 mt -71.1 -51.1 27.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 70.400000000000006 110.894 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.417 HG23 ' CZ ' ' A' ' 63' ' ' TYR . 11.8 p -66.75 -34.75 72.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 74.299999999999997 111.14 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 73.6 m -59.2 -55.54 33.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 70.299999999999997 110.893 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 mttp -60.69 -31.31 70.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 72.5 110.887 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.07 -41.27 86.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 72.0 111.106 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.21 -43.11 96.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 62.0 110.724 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -62.15 -39.43 92.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.938 0.399 . . . . 72.400000000000006 110.844 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.89 -51.72 68.8 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.244 -0.435 . . . . 74.299999999999997 110.846 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -57.74 -29.93 65.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 54.299999999999997 111.075 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -78.99 -26.25 43.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.389 -0.368 . . . . 73.400000000000006 110.871 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.05 29.46 3.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.75 0.31 . . . . 74.299999999999997 111.257 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 mttt 59.01 36.68 24.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 73.299999999999997 111.062 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -121.55 77.52 1.35 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.22 -0.446 . . . . 72.200000000000003 110.933 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.457 ' CE2' ' CE1' ' A' ' 73' ' ' TYR . 24.7 m-85 -74.7 -31.29 61.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.019 -0.537 . . . . 73.200000000000003 110.92 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -62.64 -52.03 64.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.394 -0.366 . . . . 74.099999999999994 110.808 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -71.31 -41.1 70.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 72.099999999999994 110.892 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.01 -46.26 90.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 54.399999999999999 111.106 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -59.71 -46.38 89.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 61.100000000000001 110.848 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.0 mmt-85 -60.1 -48.9 79.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 72.400000000000006 110.955 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.2 mt -70.71 -31.29 68.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 64.099999999999994 110.974 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -59.88 -60.81 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 74.5 110.915 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -59.62 -31.21 69.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 75.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -67.95 -40.82 83.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 74.299999999999997 110.938 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.69 -37.06 79.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 71.299999999999997 111.102 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.9 t -73.78 -35.49 43.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 73.099999999999994 111.131 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -60.04 -44.1 94.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 75.099999999999994 110.907 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -69.7 -34.81 74.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 72.400000000000006 110.903 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 9' ' ' ALA . 2.9 m-85 -60.3 -50.62 72.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 73.299999999999997 110.869 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.5 mt -59.14 -40.86 86.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 72.200000000000003 110.928 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -60.19 -31.17 69.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 71.5 110.874 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.95 -33.66 66.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 75.099999999999994 111.134 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.7 mt -71.37 -51.48 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 61.5 111.115 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.411 ' HE3' ' CD1' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -60.1 -35.89 76.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 75.400000000000006 110.936 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.411 ' CD1' ' HE3' ' A' ' 44' ' ' LYS . 4.5 m-85 -75.39 -31.58 60.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 74.200000000000003 110.864 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -165.53 154.9 12.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 55.100000000000001 110.858 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.13 132.72 5.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.131 -0.486 . . . . 65.299999999999997 111.289 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -63.55 -74.72 0.09 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 74.200000000000003 110.672 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.9 m -144.67 -178.23 5.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.295 -0.411 . . . . 72.299999999999997 111.107 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -64.97 -37.97 89.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.341 -0.391 . . . . 72.099999999999994 110.899 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -60.11 -52.63 64.51 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.262 -0.426 . . . . 75.200000000000003 110.71 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.84 -42.81 94.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 74.099999999999994 111.219 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -60.53 -33.01 72.02 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 121.024 0.44 . . . . 73.299999999999997 111.075 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -64.89 -43.41 93.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.092 -0.504 . . . . 71.299999999999997 110.929 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.0 t -60.4 -37.8 81.96 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.964 -0.562 . . . . 73.299999999999997 111.172 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.402 HG22 HD13 ' A' ' 56' ' ' ILE . 32.3 mt -71.42 -35.86 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 116.34 -0.391 . . . . 75.5 110.991 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -61.83 -55.38 30.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 74.200000000000003 110.857 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.84 -30.73 69.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 61.0 111.088 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 6.5 ttmt -74.76 -31.64 61.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 70.200000000000003 110.751 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 99.8 m -80.62 -45.68 16.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 71.200000000000003 110.897 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.4 p -58.47 -38.33 69.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 74.5 111.102 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -72.35 -40.57 67.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 64.400000000000006 110.836 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.417 ' CZ ' HG23 ' A' ' 13' ' ' VAL . 2.9 m-85 -64.81 -32.28 73.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 63.399999999999999 110.857 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.9 mp -72.11 -36.02 69.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 75.299999999999997 110.799 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.44 -52.44 65.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 55.399999999999999 110.892 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -41.33 97.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 63.399999999999999 110.847 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.53 -45.68 84.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 55.100000000000001 111.059 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -58.97 -37.14 76.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 74.099999999999994 110.754 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.29 -30.4 54.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.067 -0.515 . . . . 73.200000000000003 111.065 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.9 mt -69.21 -53.03 22.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 73.5 110.865 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -60.89 -37.92 83.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 62.399999999999999 110.902 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -73.66 -30.42 62.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 71.200000000000003 110.91 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.457 ' CE1' ' CE2' ' A' ' 25' ' ' TYR . 46.3 t80 -59.87 -45.37 92.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.099 -0.5 . . . . 74.5 110.893 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 mt -76.19 -31.56 58.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.114 -0.494 . . . . 74.200000000000003 110.994 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 116.219 -0.446 . . . . 65.400000000000006 110.88 -179.933 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.831 0.348 . . . . 61.100000000000001 110.911 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -67.22 -30.26 70.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 75.099999999999994 110.923 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -59.35 -60.43 3.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 72.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.93 -30.84 64.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 64.200000000000003 110.937 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 40.1 t -60.21 -47.29 86.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 75.200000000000003 110.872 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 11.7 mtt85 -67.42 -39.14 85.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 63.200000000000003 110.884 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -66.19 -36.99 84.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 75.200000000000003 110.851 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 7.8 tt -60.92 -45.56 94.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 74.200000000000003 110.889 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.2 -53.53 56.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 70.200000000000003 111.095 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.87 -30.14 68.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 73.299999999999997 111.106 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 5.5 tp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 71.299999999999997 110.965 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.9 m . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 120.8 0.333 . . . . 75.099999999999994 110.827 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.26 -44.57 75.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 61.299999999999997 110.878 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -30.98 70.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 72.200000000000003 111.201 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -81.9 -38.35 25.44 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.134 -0.485 . . . . 63.299999999999997 111.158 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.419 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . . . -59.9 -40.14 87.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 73.400000000000006 111.117 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.0 mt -77.46 -43.67 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 44.5 111.135 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -59.55 -31.59 69.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 75.400000000000006 110.912 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.5 mt -71.82 -56.13 6.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 74.299999999999997 110.918 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.417 HG23 ' CE2' ' A' ' 63' ' ' TYR . 11.7 p -59.78 -35.12 58.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 73.5 111.098 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.7 m -60.19 -47.1 87.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 75.0 110.821 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.7 mttt -65.85 -33.68 76.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 64.299999999999997 110.881 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.408 ' HB3' ' CZ ' ' A' ' 32' ' ' TYR . . . -66.98 -31.3 71.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 70.200000000000003 111.052 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.74 -50.65 48.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 71.200000000000003 110.779 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -61.5 -32.98 73.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 73.5 111.074 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -54.75 42.01 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 115.894 -0.594 . . . . 70.400000000000006 111.001 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -57.8 -30.55 65.78 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.241 -0.436 . . . . 72.5 110.713 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -76.59 -27.47 55.82 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.053 -0.521 . . . . 75.0 110.937 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.57 29.39 3.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.44 -0.345 . . . . 70.299999999999997 111.098 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt 58.85 38.27 24.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.419 . . . . 73.400000000000006 110.929 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -122.26 79.2 1.57 Allowed 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.221 -0.445 . . . . 72.299999999999997 110.874 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.492 ' CE2' ' CE1' ' A' ' 73' ' ' TYR . 26.4 m-85 -77.47 -35.36 53.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.413 -0.358 . . . . 75.0 110.744 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -67.7 -33.11 74.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.828 0.347 . . . . 74.299999999999997 110.862 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -83.01 -34.81 26.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 73.299999999999997 110.851 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.56 -38.03 86.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 64.400000000000006 111.132 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.2 tt -60.23 -38.14 82.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 62.100000000000001 110.906 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -65.0 -54.95 22.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 64.5 110.869 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.26 -31.83 70.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 73.400000000000006 110.904 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.408 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 5.4 m-85 -70.44 -31.52 68.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 65.099999999999994 110.875 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -72.2 -54.09 10.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 72.5 110.91 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -60.24 -40.4 90.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 61.100000000000001 110.937 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.67 -53.94 52.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 75.299999999999997 111.113 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.5 t -63.54 -36.49 76.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 71.299999999999997 111.047 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -60.42 -48.2 82.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 74.400000000000006 110.867 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -65.52 -31.71 72.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 74.200000000000003 110.899 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.419 ' CE1' ' HB3' ' A' ' 9' ' ' ALA . 2.8 m-85 -62.77 -50.77 69.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 72.0 110.896 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.1 mt -60.34 -33.14 71.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 75.299999999999997 110.875 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -78.18 -31.75 49.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 74.299999999999997 110.913 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.18 -40.81 74.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 64.200000000000003 111.034 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.5 mt -77.56 -31.19 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 71.5 111.091 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.7 tttp -72.01 -34.34 68.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 70.299999999999997 110.872 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -83.93 -33.12 24.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 74.099999999999994 110.9 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -157.01 137.67 13.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 71.299999999999997 110.779 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.48 174.21 10.84 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.151 -0.477 . . . . 74.5 111.126 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -104.28 -65.55 1.02 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 71.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.1 -176.71 4.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 53.399999999999999 110.775 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -48.89 78.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.927 -0.579 . . . . 73.0 110.834 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -60.16 -52.94 63.2 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.119 -0.491 . . . . 65.099999999999994 110.832 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.8 -45.09 93.41 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.181 0.515 . . . . 72.400000000000006 111.125 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -60.52 -31.7 70.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 72.5 110.926 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -63.46 -47.4 82.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.248 -0.433 . . . . 72.400000000000006 110.922 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.3 m -60.49 -42.03 95.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 65.299999999999997 111.112 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.8 mt -71.43 -33.67 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-O 120.816 0.341 . . . . 74.099999999999994 110.938 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -68.37 -51.75 40.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 75.299999999999997 110.876 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.95 -34.99 68.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 74.099999999999994 111.064 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -70.19 -30.74 67.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 65.200000000000003 110.848 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 79.3 m -78.85 -46.27 18.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 63.5 110.922 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.8 t -58.52 -31.03 42.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 72.0 111.143 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -77.13 -41.06 43.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 55.399999999999999 110.87 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.417 ' CE2' HG23 ' A' ' 13' ' ' VAL . 10.5 m-85 -68.91 -34.97 76.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 73.200000000000003 110.864 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.48 -42.24 83.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 73.099999999999994 110.899 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -61.04 -39.03 88.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 110.839 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.9 mtp85 -66.1 -33.74 76.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 62.5 110.935 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.27 -51.66 66.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 63.100000000000001 111.098 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -60.17 -31.52 70.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 61.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -67.21 -39.33 86.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 63.200000000000003 110.917 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.1 mt -67.13 -34.93 78.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 65.099999999999994 110.903 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -63.57 -44.74 93.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 65.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -64.6 -31.48 72.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 63.5 110.877 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.492 ' CE1' ' CE2' ' A' ' 25' ' ' TYR . 38.7 t80 -60.27 -52.52 64.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 74.299999999999997 110.991 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.1 mt -73.74 -40.34 63.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.041 -0.527 . . . . 72.0 110.954 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 116.216 -0.447 . . . . 71.299999999999997 110.804 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.826 0.346 . . . . 72.299999999999997 110.914 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -70.05 -30.18 67.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 63.299999999999997 110.975 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -59.08 -60.37 3.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 71.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.59 -29.85 65.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 73.200000000000003 110.949 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 44.6 t -64.82 -39.8 94.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 71.400000000000006 110.892 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -68.74 -45.75 70.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 74.299999999999997 110.899 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -60.32 -31.63 70.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 71.099999999999994 110.912 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 2.0 tt -66.3 -48.02 71.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 62.299999999999997 110.905 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.98 -35.03 74.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 73.099999999999994 111.071 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.86 -31.72 61.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 73.299999999999997 111.079 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 5.7 tp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 65.400000000000006 110.913 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.451 -0.379 0 CA-C-O 120.778 0.323 . . . . 75.099999999999994 110.842 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.15 -53.09 61.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 61.299999999999997 110.85 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -60.01 -43.78 95.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 72.200000000000003 110.755 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -62.38 -34.67 77.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 63.299999999999997 111.039 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.42 ' CB ' ' CE1' ' A' ' 39' ' ' PHE . . . -69.13 -41.94 76.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 73.400000000000006 111.051 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.3 mt -77.5 -46.03 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 44.5 111.105 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.82 -33.08 71.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 75.400000000000006 110.897 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.1 mt -69.66 -53.82 16.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 74.299999999999997 110.884 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.415 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 11.9 p -62.89 -34.96 69.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 73.5 111.092 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.3 m -60.24 -41.42 93.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 75.0 110.841 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -70.54 -31.58 68.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 64.299999999999997 110.852 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.92 -40.85 78.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 70.200000000000003 111.061 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.44 -49.56 76.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 71.200000000000003 110.811 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -60.07 -38.3 82.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 73.5 110.996 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -62.65 -48.62 78.54 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.959 -0.564 . . . . 70.400000000000006 110.817 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -57.2 -30.07 64.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 72.5 110.971 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.6 mttp -77.27 -26.38 52.37 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.407 -0.36 . . . . 75.0 111.045 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.15 28.79 3.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.085 -0.507 . . . . 70.299999999999997 111.164 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt 58.05 30.9 19.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.132 0.491 . . . . 73.400000000000006 111.129 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -110.07 80.72 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 72.299999999999997 110.949 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -71.16 -38.22 72.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 75.0 110.828 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -61.98 -60.17 4.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.878 0.37 . . . . 74.299999999999997 110.868 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.34 -30.65 71.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 73.299999999999997 110.947 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.84 -30.87 64.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 64.400000000000006 111.155 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -72.98 -49.03 31.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 62.100000000000001 110.966 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -59.09 -36.84 75.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 64.5 110.938 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -75.43 -31.5 60.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 73.400000000000006 110.843 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -71.24 -54.79 9.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 65.099999999999994 110.906 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -59.67 -31.78 69.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 72.5 110.886 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -73.91 -35.83 64.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 61.100000000000001 110.879 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.51 -55.13 7.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 75.299999999999997 111.092 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.6 t -59.69 -41.66 86.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 71.299999999999997 111.118 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -60.01 -39.88 87.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 74.400000000000006 110.926 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -73.97 -31.52 63.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 74.200000000000003 110.887 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.42 ' CE1' ' CB ' ' A' ' 9' ' ' ALA . 3.7 m-85 -66.87 -47.93 70.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 72.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.1 mt -59.93 -44.86 94.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 75.299999999999997 110.922 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -60.36 -31.5 70.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 74.299999999999997 110.916 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.22 -34.29 68.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 64.200000000000003 111.163 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 9.5 mt -69.51 -49.37 60.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 71.5 111.06 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.23 -32.51 71.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 70.299999999999997 110.889 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -80.48 -53.98 6.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 74.099999999999994 110.924 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -137.92 150.03 46.72 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.204 -0.453 . . . . 71.299999999999997 111.07 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.68 171.5 18.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 74.5 111.102 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 64.8 m170 -103.21 -54.23 2.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.306 -0.406 . . . . 71.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.4 m -173.5 -176.04 1.23 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.173 -0.467 . . . . 53.399999999999999 110.94 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.24 -39.88 91.94 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.006 -0.543 . . . . 73.0 110.965 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -60.24 -59.18 5.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.186 -0.461 . . . . 65.099999999999994 110.749 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.14 -43.74 95.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 72.400000000000006 111.211 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -60.16 -31.43 70.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.44 . . . . 72.5 110.97 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -68.1 -46.77 70.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 72.400000000000006 110.884 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.8 m -60.54 -38.31 84.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.277 -0.42 . . . . 65.299999999999997 110.611 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.0 mt -74.54 -31.43 27.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.062 -0.517 . . . . 74.099999999999994 111.064 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -71.59 -48.67 46.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 75.299999999999997 110.882 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.05 -39.85 83.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 74.099999999999994 111.085 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -69.02 -31.33 70.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 65.200000000000003 110.845 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 68.2 m -78.35 -44.61 24.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 63.5 110.886 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.7 t -58.7 -38.43 71.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 72.0 111.114 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -71.99 -38.33 69.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 55.399999999999999 110.867 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.415 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 4.5 m-85 -67.54 -34.31 76.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 73.200000000000003 110.893 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.0 tp -66.89 -41.7 86.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 73.099999999999994 110.856 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.27 -42.2 94.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 74.400000000000006 110.882 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.0 mtp85 -64.4 -32.46 74.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 62.5 110.842 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.42 -55.16 30.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 63.100000000000001 111.13 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -57.75 -30.31 65.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 61.0 110.961 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -71.72 -30.38 65.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 63.200000000000003 110.921 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.8 mt -77.63 -50.61 12.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 65.099999999999994 110.895 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -60.42 -32.03 70.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 65.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -77.77 -31.52 52.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 63.5 110.905 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -60.33 -43.91 95.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 74.299999999999997 110.867 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.1 mt -84.66 -40.87 16.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.129 0.49 . . . . 72.0 111.064 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 . . . . . 0 CA--C 1.521 -0.169 0 CA-C-N 115.971 -0.559 . . . . 71.299999999999997 111.264 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.872 0.368 . . . . 72.299999999999997 110.884 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.36 -30.32 67.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 63.299999999999997 110.947 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -59.27 -60.39 3.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 71.0 110.961 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.24 -29.52 64.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 73.200000000000003 110.94 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 36.7 t -64.86 -35.05 79.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 71.400000000000006 110.93 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.63 -50.37 13.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 74.299999999999997 110.888 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -60.71 -31.9 71.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 71.099999999999994 110.938 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 8.9 tt -69.04 -45.13 71.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 62.299999999999997 110.84 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.85 -31.19 69.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 73.099999999999994 111.096 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.33 -33.65 63.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 73.299999999999997 111.097 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -54.69 42.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 65.400000000000006 110.958 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -60.8 -46.69 89.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 73.400000000000006 110.944 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.225 -0.893 . . . . 75.400000000000006 110.921 179.949 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.843 0.354 . . . . 72.099999999999994 110.93 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.6 -48.46 77.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 73.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -60.36 -32.26 71.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 63.399999999999999 110.901 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -82.85 -35.2 26.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 74.299999999999997 110.69 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.431 ' CB ' ' CE1' ' A' ' 39' ' ' PHE . . . -60.16 -39.83 87.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 74.099999999999994 111.09 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.6 mt -77.65 -44.16 29.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 74.400000000000006 111.097 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -59.98 -31.27 69.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 72.5 110.941 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.6 mt -71.74 -55.74 7.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 63.5 110.917 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.416 HG23 ' CZ ' ' A' ' 63' ' ' TYR . 11.9 p -59.75 -37.76 72.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 72.400000000000006 111.127 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 91.1 m -60.33 -52.22 66.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 60.0 110.831 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.9 mttp -61.35 -32.69 72.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 74.400000000000006 110.837 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.11 -39.29 82.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 36.799999999999997 111.106 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.34 -43.38 96.49 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.188 -0.46 . . . . 75.299999999999997 110.775 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -61.91 -40.09 94.28 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.619 -0.264 . . . . 55.0 110.561 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -51.36 70.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.954 0.407 . . . . 75.400000000000006 110.897 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -57.21 -30.3 64.45 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.082 -0.508 . . . . 75.299999999999997 111.117 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -79.61 -26.94 41.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.015 0.436 . . . . 74.400000000000006 111.213 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.54 29.56 3.25 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.69 -0.686 . . . . 54.299999999999997 111.092 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.0 mttm 60.17 39.49 19.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 64.299999999999997 110.717 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -122.2 77.33 1.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.392 -0.367 . . . . 75.5 110.989 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.485 ' CE2' ' CE2' ' A' ' 73' ' ' TYR . 28.2 m-85 -71.09 -46.12 62.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.861 -0.608 . . . . 74.299999999999997 110.837 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -62.26 -45.74 91.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 74.200000000000003 110.934 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -64.1 -45.34 89.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 75.099999999999994 110.899 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.411 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -59.81 -40.97 90.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 73.099999999999994 111.075 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -60.19 -38.48 83.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 74.400000000000006 110.892 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.1 mtt-85 -61.26 -53.18 60.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 74.200000000000003 110.92 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mt -70.25 -31.89 69.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 74.200000000000003 110.868 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.411 ' CE2' ' HB2' ' A' ' 28' ' ' ALA . 2.2 m-85 -63.28 -46.45 86.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 60.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -60.31 -49.68 76.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 74.099999999999994 110.956 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -60.29 -35.87 76.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 72.299999999999997 110.929 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.2 -52.38 35.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 72.200000000000003 111.101 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.8 t -63.42 -40.61 89.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 72.200000000000003 111.075 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -60.46 -53.64 55.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 61.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -60.27 -31.56 70.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 64.200000000000003 110.922 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.431 ' CE1' ' CB ' ' A' ' 9' ' ' ALA . 4.8 m-85 -62.1 -52.55 63.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 74.200000000000003 110.902 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.0 mt -60.3 -31.49 70.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 75.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -66.5 -35.3 79.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 73.200000000000003 110.911 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.54 -29.75 63.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 72.5 111.154 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 21.6 mt -73.91 -31.91 32.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 73.400000000000006 111.138 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.5 pttt -85.2 -41.88 15.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 75.400000000000006 110.926 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -69.97 -74.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 74.200000000000003 110.898 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -128.51 107.63 9.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 71.5 110.725 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -115.83 139.2 50.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.131 -0.486 . . . . 53.0 111.355 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -60.48 -74.51 0.08 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.042 -0.526 . . . . 71.400000000000006 110.755 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.9 m -153.94 -177.41 6.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 72.200000000000003 110.945 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -59.83 -36.52 76.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.979 0.418 . . . . 51.5 111.165 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -64.77 -47.67 77.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.986 -0.552 . . . . 74.299999999999997 110.809 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.37 -34.74 68.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 71.0 111.238 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -66.95 -31.55 72.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 75.299999999999997 110.967 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -76.11 -39.78 54.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 74.5 110.906 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.4 m -60.26 -40.87 91.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.07 -0.514 . . . . 63.399999999999999 110.903 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.2 mt -75.46 -38.49 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 116.368 -0.378 . . . . 71.299999999999997 110.966 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -56.24 23.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 75.099999999999994 110.891 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.25 -39.7 76.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 75.5 111.077 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -68.88 -30.32 68.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 50.299999999999997 110.829 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 57.4 m -74.73 -40.62 61.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 74.5 110.867 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.6 t -58.74 -43.65 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 72.099999999999994 111.105 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.93 -35.44 76.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 64.299999999999997 110.896 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.416 ' CZ ' HG23 ' A' ' 13' ' ' VAL . 5.8 m-85 -68.34 -33.43 74.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 75.400000000000006 110.881 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.4 -41.45 84.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 72.5 110.86 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.69 -43.76 97.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 75.200000000000003 110.869 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.3 mmm-85 -63.62 -33.06 74.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 71.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.12 -53.97 51.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 72.200000000000003 111.092 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -59.4 -31.11 68.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 64.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.1 tttm -67.58 -31.38 71.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 72.299999999999997 110.901 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 74.8 mt -78.86 -48.56 14.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 74.299999999999997 110.85 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -65.63 -33.15 75.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 75.299999999999997 110.815 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -78.25 -31.18 49.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 71.400000000000006 110.911 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.485 ' CE2' ' CE2' ' A' ' 25' ' ' TYR . 84.5 t80 -60.18 -62.06 2.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.069 -0.514 . . . . 71.200000000000003 110.729 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.6 mt -65.65 -41.08 92.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.384 -0.371 . . . . 74.099999999999994 110.859 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 74.5 111.22 179.787 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.823 0.344 . . . . 71.200000000000003 110.904 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.7 -29.99 67.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 72.299999999999997 110.947 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -58.89 -60.39 3.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 74.200000000000003 110.988 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.9 -29.6 64.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 74.299999999999997 110.971 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 40.7 t -61.07 -45.97 92.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 63.200000000000003 110.885 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -69.23 -40.96 77.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 75.400000000000006 110.914 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -60.39 -42.0 94.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 74.299999999999997 110.886 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.42 -45.46 93.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 72.099999999999994 110.925 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.03 -36.44 77.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 75.0 111.071 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.05 -32.54 59.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 73.299999999999997 111.144 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 21.4 tp -65.66 -57.88 7.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 74.299999999999997 110.893 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 2.7 ptt180 -80.18 179.99 7.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 74.299999999999997 110.898 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.287 -0.863 . . . . 74.099999999999994 110.855 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 120.795 0.331 . . . . 74.099999999999994 110.817 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.31 -44.21 92.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 72.099999999999994 110.851 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -60.12 -31.39 70.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 43.399999999999999 110.959 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -77.96 -32.21 51.32 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.14 -0.482 . . . . 75.200000000000003 111.165 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.413 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . . . -69.29 -37.69 77.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.046 -0.524 . . . . 70.400000000000006 111.099 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.7 mt -77.45 -47.49 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 53.5 111.129 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -60.0 -31.27 69.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 73.099999999999994 110.903 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.3 mt -73.11 -54.93 7.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 75.5 110.864 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.418 HG22 ' CZ ' ' A' ' 63' ' ' TYR . 11.9 p -60.35 -38.21 76.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 63.299999999999997 111.129 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.9 m -59.32 -51.59 69.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 73.5 110.9 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -61.61 -33.7 74.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 75.400000000000006 110.869 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.417 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . . . -67.26 -32.37 73.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 74.5 111.112 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.29 -49.93 65.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 74.400000000000006 110.93 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -59.94 -31.56 69.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 74.400000000000006 110.857 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -62.26 -54.12 45.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.293 -0.412 . . . . 74.400000000000006 110.887 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -57.17 -30.12 64.22 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.983 -0.553 . . . . 73.0 111.041 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.99 -26.85 48.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.531 -0.304 . . . . 65.099999999999994 110.99 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.11 28.87 3.37 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.116 -0.493 . . . . 51.399999999999999 111.307 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? 58.93 38.18 24.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.082 0.467 . . . . 70.299999999999997 111.039 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -123.0 80.46 1.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 75.400000000000006 111.05 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.499 ' CE2' ' CE2' ' A' ' 73' ' ' TYR . 31.4 m-85 -79.06 -40.51 31.09 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.063 -0.517 . . . . 74.5 110.928 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.61 -35.47 79.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.928 -0.578 . . . . 72.299999999999997 110.871 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -83.02 -31.03 27.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 74.200000000000003 110.939 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.63 -41.07 76.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 73.0 111.118 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.27 -48.86 79.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 70.099999999999994 110.88 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -60.29 -39.41 86.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 73.299999999999997 110.913 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.6 mt -74.09 -36.35 64.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 73.299999999999997 110.902 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.417 ' CD2' ' HB3' ' A' ' 16' ' ' ALA . 2.5 m-85 -67.13 -42.06 85.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 71.5 110.921 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -60.15 -50.21 74.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 73.299999999999997 110.912 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -62.42 -31.54 72.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 74.200000000000003 110.919 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.37 -59.48 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 74.200000000000003 111.098 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.69 -32.66 49.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 75.0 111.117 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -60.37 -43.46 96.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 63.399999999999999 110.911 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -70.3 -31.68 69.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 73.5 110.913 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.413 ' CE2' ' HB2' ' A' ' 9' ' ' ALA . 4.0 m-85 -63.0 -51.87 65.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 72.400000000000006 110.894 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 63.1 mt -59.97 -37.5 79.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 74.400000000000006 110.939 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -69.57 -31.49 69.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 71.400000000000006 110.86 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.28 -31.35 60.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 64.200000000000003 111.126 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.0 mt -76.27 -45.26 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 74.5 111.061 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -60.24 -42.79 96.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 75.200000000000003 110.912 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -71.9 -56.68 5.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 73.5 110.898 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -137.16 179.03 6.63 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.233 -0.439 . . . . 71.5 111.111 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.17 179.41 1.55 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.403 -0.362 . . . . 63.200000000000003 110.976 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -106.63 -67.55 0.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.843 -0.617 . . . . 72.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -152.81 174.65 13.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 75.200000000000003 111.202 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -60.0 -43.17 95.37 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.469 -0.332 . . . . 74.200000000000003 110.945 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.6 tttm -60.65 -50.93 71.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.302 -0.408 . . . . 75.400000000000006 110.959 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.11 -44.0 96.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 61.100000000000001 111.279 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -60.18 -33.13 71.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.881 -0.6 . . . . 73.299999999999997 110.821 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -70.72 -36.69 73.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.02 0.438 . . . . 64.200000000000003 110.919 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.65 -31.6 72.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.022 -0.536 . . . . 74.299999999999997 110.733 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.9 mt -74.87 -37.13 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.141 -0.481 . . . . 75.5 110.973 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -61.52 -56.33 21.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 64.099999999999994 110.807 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.89 -39.94 75.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 73.400000000000006 111.069 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -66.15 -31.43 72.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 64.400000000000006 110.785 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 68.0 m -76.33 -46.97 25.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 75.200000000000003 110.915 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.6 t -58.87 -42.47 85.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 71.200000000000003 111.088 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -67.35 -35.66 79.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 63.100000000000001 110.875 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.418 ' CZ ' HG22 ' A' ' 13' ' ' VAL . 2.4 m-85 -67.89 -40.44 83.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 71.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 mp -60.35 -40.54 91.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 62.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.18 -51.53 69.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 73.400000000000006 110.863 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -65.13 -35.47 81.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 75.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.31 -53.27 60.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 63.200000000000003 111.098 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -59.66 -31.16 69.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 54.5 110.902 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -66.36 -32.52 73.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 70.200000000000003 110.889 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.406 HD22 ' CD1' ' A' ' 25' ' ' TYR . 77.9 mt -73.19 -49.22 29.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 70.400000000000006 110.845 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.78 -31.37 69.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 73.400000000000006 110.904 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -82.87 -30.92 28.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 72.200000000000003 110.868 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.499 ' CE2' ' CE2' ' A' ' 25' ' ' TYR . 75.2 t80 -60.02 -36.84 78.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 75.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.5 mt -83.53 -40.08 19.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.338 -0.392 . . . . 72.099999999999994 110.919 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 116.26 -0.427 . . . . 74.5 110.76 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.808 0.337 . . . . 72.099999999999994 110.927 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -69.96 -29.88 67.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 53.399999999999999 110.975 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -59.07 -60.4 3.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 64.400000000000006 110.978 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.53 -30.29 67.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 71.5 110.947 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 37.9 m -66.24 -37.37 85.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 64.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 12.3 ttt85 -69.26 -43.46 73.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 72.200000000000003 110.941 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -65.5 -35.23 80.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 73.099999999999994 110.882 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 2.4 tt -60.24 -49.13 78.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 74.200000000000003 110.918 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.14 -37.36 79.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 43.200000000000003 111.129 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.74 -31.39 69.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 63.200000000000003 111.089 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.3 tp -61.09 -53.8 52.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 74.200000000000003 110.863 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -40.45 73.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 75.400000000000006 110.916 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 29.7 t30 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.238 -0.887 . . . . 75.0 110.895 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.784 0.326 . . . . 74.200000000000003 110.89 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.17 -50.23 64.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 72.400000000000006 110.949 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -60.54 -41.82 95.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 73.099999999999994 110.791 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -69.67 -33.28 72.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 75.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.13 -51.03 71.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 64.299999999999997 111.098 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.5 mt -66.16 -48.02 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 65.099999999999994 111.066 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.42 -31.36 69.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 74.099999999999994 110.891 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.7 mt -71.55 -52.34 18.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 74.400000000000006 110.885 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.6 p -65.15 -34.19 68.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 62.399999999999999 111.092 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.5 m -59.8 -50.49 73.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 74.400000000000006 110.856 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -60.06 -35.38 75.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 70.400000000000006 110.856 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.417 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -65.01 -39.9 94.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 71.299999999999997 111.096 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -41.2 93.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 74.5 110.736 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -63.63 -35.67 81.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.026 0.441 . . . . 74.099999999999994 110.898 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -76.24 -43.89 40.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.94 -0.573 . . . . 64.200000000000003 110.816 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.92 -31.18 71.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.303 -0.408 . . . . 71.0 111.175 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.0 -21.24 27.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 63.399999999999999 111.348 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.18 28.59 3.15 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.976 -0.556 . . . . 65.400000000000006 111.394 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.9 mttt 58.78 39.17 24.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 74.099999999999994 110.812 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -126.04 77.97 1.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.031 0.443 . . . . 74.200000000000003 110.864 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.412 ' CD1' HD22 ' A' ' 70' ' ' LEU . 20.2 m-85 -73.32 -31.45 64.01 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.951 -0.568 . . . . 73.299999999999997 110.863 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -62.11 -60.06 4.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.452 -0.34 . . . . 72.5 110.94 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -36.03 82.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 74.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.53 -40.72 88.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 60.5 111.147 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -64.85 -39.3 93.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 74.5 110.92 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -60.05 -54.55 44.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 74.400000000000006 110.852 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.1 mt -67.96 -32.09 72.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 74.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.417 ' CE2' ' HB3' ' A' ' 16' ' ' ALA . 1.6 m-85 -64.29 -44.18 92.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 70.299999999999997 110.872 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -60.16 -49.3 78.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 75.099999999999994 110.894 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -60.16 -41.73 93.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 73.400000000000006 110.889 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.02 -51.66 68.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 63.0 111.089 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.4 t -63.23 -41.07 91.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 55.399999999999999 111.09 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -60.91 -48.86 79.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 75.099999999999994 110.921 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -60.05 -31.47 70.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 74.299999999999997 110.887 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -68.74 -51.21 43.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 63.5 110.923 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.5 mt -60.26 -32.01 70.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 72.400000000000006 110.879 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.402 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 11.5 m80 -72.23 -31.58 65.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 75.200000000000003 110.853 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.78 -30.51 67.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 73.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.4 mt -76.14 -48.69 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 74.400000000000006 111.109 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.27 -47.1 87.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 70.200000000000003 110.956 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.402 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 19.2 m-85 -68.5 -74.16 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 75.099999999999994 110.895 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -131.3 101.06 5.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 70.099999999999994 110.928 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.53 144.65 25.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 44.299999999999997 111.069 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -61.77 -68.15 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.401 -0.363 . . . . 71.0 110.666 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.4 m -164.34 -175.98 4.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.36 -0.382 . . . . 74.5 110.967 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -62.57 -51.22 68.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.967 -0.56 . . . . 74.299999999999997 110.782 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -60.2 -49.95 75.59 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.858 0.361 . . . . 75.5 110.871 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.13 -36.86 78.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 73.0 110.997 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt -60.64 -31.72 70.91 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.157 -0.474 . . . . 72.200000000000003 110.801 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -72.12 -41.98 66.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.317 -0.401 . . . . 71.200000000000003 110.924 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.5 m -60.15 -44.91 94.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 51.200000000000003 110.937 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 30.1 mt -72.0 -31.29 39.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.986 -0.552 . . . . 64.299999999999997 111.004 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -65.54 -52.7 50.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 75.299999999999997 110.879 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.87 -37.83 77.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 71.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -70.31 -32.9 70.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 73.099999999999994 110.919 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 98.3 m -79.26 -45.26 20.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 74.200000000000003 110.93 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.3 t -59.25 -38.77 76.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 71.299999999999997 111.075 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.34 -39.27 65.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 75.099999999999994 110.884 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -69.4 -33.02 72.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 75.200000000000003 110.867 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.27 -41.46 85.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 74.200000000000003 110.896 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -60.28 -48.82 80.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 61.299999999999997 110.87 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.3 mmm-85 -59.54 -43.9 93.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 75.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.95 -45.87 78.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 70.099999999999994 111.15 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -57.99 -36.08 72.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 54.100000000000001 110.749 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.3 tttp -77.51 -29.17 52.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.086 -0.506 . . . . 74.299999999999997 111.075 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.412 HD22 ' CD1' ' A' ' 25' ' ' TYR . 30.6 mt -63.53 -52.16 62.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.319 -0.4 . . . . 71.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -32.9 73.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 72.0 110.812 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -74.38 -30.37 61.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 73.099999999999994 110.946 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -64.93 -52.63 55.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 75.400000000000006 110.89 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.5 mt -59.02 -56.48 21.67 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.164 -0.471 . . . . 71.0 111.065 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.7 ptt180 . . . . . 0 C--N 1.321 -0.664 0 CA-C-N 116.371 -0.377 . . . . 74.299999999999997 110.993 -179.924 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.766 0.317 . . . . 71.5 110.883 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -69.91 -29.88 67.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 72.0 111.027 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -59.17 -60.4 3.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 65.5 111.005 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.19 -29.49 64.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 73.400000000000006 110.93 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 34.2 t -60.17 -39.24 85.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.404 . . . . 61.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 11.5 mtt85 -76.1 -38.7 56.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 74.099999999999994 110.907 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -63.17 -34.38 77.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 73.200000000000003 110.903 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.2 tt -72.59 -41.23 65.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 53.200000000000003 110.919 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.22 -34.16 73.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 61.299999999999997 111.066 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -85.01 -31.21 23.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 64.400000000000006 111.071 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 10.3 tp -60.55 -50.49 73.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 65.299999999999997 110.898 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.73 146.13 46.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 51.299999999999997 110.945 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 5.8 t30 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.218 -0.896 . . . . 71.400000000000006 110.897 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.2 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.832 0.348 . . . . 71.5 110.868 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.18 -49.67 74.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 73.5 111.013 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -60.61 -30.68 69.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.257 -0.429 . . . . 64.400000000000006 111.261 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.1 -42.13 19.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.024 -0.535 . . . . 71.0 110.798 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.57 -30.55 68.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 64.299999999999997 111.1 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.9 mt -80.28 -45.62 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 74.400000000000006 111.089 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -59.88 -31.13 69.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 72.5 110.966 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -74.41 -55.92 5.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 75.299999999999997 110.964 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.418 HG22 ' CE1' ' A' ' 63' ' ' TYR . 12.6 p -59.15 -38.61 75.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 70.099999999999994 111.132 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.5 m -59.52 -50.26 74.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 63.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -61.65 -31.59 71.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 73.099999999999994 110.836 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.409 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -69.75 -39.31 76.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 51.299999999999997 111.098 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.24 -44.42 95.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 64.299999999999997 110.827 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -63.27 -40.97 98.88 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.478 -0.328 . . . . 73.099999999999994 110.638 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -59.21 -51.46 69.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.895 0.378 . . . . 75.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -57.43 -29.57 64.27 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.967 -0.561 . . . . 75.5 111.186 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -82.05 -26.31 33.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 71.200000000000003 111.044 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.26 29.48 3.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.371 -0.377 . . . . 65.0 111.088 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.7 mttm 58.64 36.06 24.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.096 0.474 . . . . 64.299999999999997 110.909 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -118.42 78.76 1.29 Allowed 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 120.96 0.41 . . . . 71.5 110.881 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.498 ' CE2' ' CE1' ' A' ' 73' ' ' TYR . 23.3 m-85 -76.3 -38.54 55.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.937 -0.574 . . . . 70.5 110.824 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -61.53 -38.23 86.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.839 0.352 . . . . 73.0 110.836 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.02 -37.29 24.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 71.099999999999994 110.906 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.75 -47.08 87.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 73.0 111.098 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.37 -39.36 86.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 60.399999999999999 110.906 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -60.09 -58.87 6.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 74.400000000000006 110.943 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mt -62.19 -31.53 72.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 74.5 110.91 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.409 ' CE2' ' HB2' ' A' ' 16' ' ' ALA . 2.6 m-85 -66.6 -40.16 88.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 73.400000000000006 110.913 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -60.24 -55.38 34.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 62.399999999999999 110.914 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.445 ' CD2' ' CE2' ' A' ' 38' ' ' TYR . 0.8 OUTLIER -60.24 -33.48 72.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 63.299999999999997 110.934 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.8 -55.42 34.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 64.400000000000006 111.086 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.87 -34.91 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 73.299999999999997 111.113 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -60.25 -52.49 65.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 74.099999999999994 110.917 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.445 ' CE2' ' CD2' ' A' ' 34' ' ' HIS . 9.9 m-85 -60.49 -35.82 76.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 70.200000000000003 110.895 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -66.82 -39.84 87.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 75.400000000000006 110.86 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.5 mt -60.32 -36.97 79.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 61.100000000000001 110.888 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.31 -31.47 67.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 73.299999999999997 110.955 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.82 -31.04 67.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 71.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.9 mt -72.12 -50.78 34.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 64.099999999999994 111.063 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -39.14 87.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 75.400000000000006 110.922 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -94.22 -74.61 0.53 Allowed 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.211 -0.45 . . . . 75.099999999999994 110.807 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.98 -169.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 70.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 61.09 157.94 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.206 -0.452 . . . . 72.0 111.157 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 51.3 m80 -144.56 -74.74 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.951 0.405 . . . . 72.200000000000003 110.867 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.3 p -62.07 153.42 29.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.032 -0.531 . . . . 73.299999999999997 110.968 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -59.79 -32.63 70.79 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.268 0.556 . . . . 71.200000000000003 111.226 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.21 -32.93 71.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.992 -0.549 . . . . 72.200000000000003 110.882 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.41 -37.7 51.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 63.0 111.034 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -75.72 -31.6 59.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 62.100000000000001 110.914 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -66.66 -49.46 66.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.297 -0.411 . . . . 73.099999999999994 110.855 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.32 -44.51 95.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 73.5 110.772 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.0 mt -71.83 -42.21 69.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.085 -0.507 . . . . 72.099999999999994 111.044 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -60.39 -54.45 45.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.316 -0.402 . . . . 71.200000000000003 110.874 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.85 -35.75 66.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 60.399999999999999 110.95 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 42.7 mttt -73.55 -31.52 63.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.061 -0.518 . . . . 53.299999999999997 110.69 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 92.0 m -74.79 -37.68 62.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 71.400000000000006 110.829 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 30.0 t -62.46 -44.29 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 74.299999999999997 110.988 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -67.29 -34.04 76.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 72.299999999999997 110.876 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.418 ' CE1' HG22 ' A' ' 13' ' ' VAL . 4.8 m-85 -64.22 -37.85 88.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 74.200000000000003 110.851 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.5 mt -67.64 -38.65 84.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 74.400000000000006 110.826 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.14 -38.32 82.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 63.399999999999999 110.848 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -71.12 -31.58 67.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 75.099999999999994 110.931 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.52 -58.02 9.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 75.099999999999994 111.124 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.06 -31.87 70.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 73.5 110.911 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 tpmt? -60.73 -52.83 63.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 73.099999999999994 110.895 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.48 -33.85 75.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 72.400000000000006 110.859 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -62.31 -47.98 81.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 72.400000000000006 110.863 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -61.3 -31.44 71.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 72.299999999999997 110.853 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.498 ' CE1' ' CE2' ' A' ' 25' ' ' TYR . 38.7 t80 -62.59 -44.13 97.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.044 -0.525 . . . . 74.5 111.04 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mt -75.44 -47.91 25.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 72.400000000000006 110.85 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 120.975 0.417 . . . . 74.099999999999994 111.098 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.858 0.361 . . . . 73.400000000000006 110.944 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -71.52 -29.75 65.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 72.5 110.944 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -58.71 -60.4 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 71.400000000000006 111.008 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -71.5 -29.51 64.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 70.200000000000003 110.963 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 42.6 t -63.51 -37.36 87.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 73.400000000000006 110.868 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -44.16 62.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 74.400000000000006 110.938 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -60.4 -31.84 70.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 72.400000000000006 110.894 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 2.4 tt -73.81 -36.64 65.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 71.200000000000003 110.896 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.51 -42.77 99.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 75.299999999999997 111.11 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -70.47 -31.55 68.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 64.5 111.116 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 3.8 tp -60.44 -49.13 78.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 72.200000000000003 110.893 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 18.2 mtm180 -60.94 118.36 6.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 70.400000000000006 110.866 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 7.9 p30 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.184 -0.912 . . . . 65.0 110.852 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 120.811 0.339 . . . . 72.099999999999994 110.844 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.79 -43.32 99.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 75.5 110.916 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -36.03 77.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 74.299999999999997 111.045 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -79.08 -31.62 44.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 71.299999999999997 110.872 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.86 -39.22 93.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 54.100000000000001 111.069 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.4 mt -78.2 -45.5 26.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 64.5 111.122 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -59.13 -31.59 69.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 73.5 110.916 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.4 mt -72.14 -55.95 6.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 70.400000000000006 110.846 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.416 HG23 ' CZ ' ' A' ' 63' ' ' TYR . 11.9 p -60.1 -35.05 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 71.5 111.017 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.0 m -59.96 -47.95 83.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 75.099999999999994 110.823 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -61.2 -31.83 71.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 72.099999999999994 110.859 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.2 -39.19 78.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 64.200000000000003 111.092 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.38 -47.27 86.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 74.0 110.757 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -60.19 -38.24 82.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 73.299999999999997 110.753 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.42 -50.15 48.48 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.923 0.392 . . . . 71.5 110.811 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -57.9 -33.68 69.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.996 -0.547 . . . . 52.0 110.94 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -88.08 -26.27 22.61 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 116.109 -0.496 . . . . 74.099999999999994 110.945 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.37 30.44 2.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.733 0.301 . . . . 51.299999999999997 111.165 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt 59.15 70.31 0.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.305 0.574 . . . . 54.399999999999999 111.061 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -158.7 73.46 0.63 Allowed 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.085 -0.507 . . . . 72.299999999999997 110.689 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -71.66 -36.2 70.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.845 0.355 . . . . 75.299999999999997 110.879 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -68.25 -36.45 79.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.97 -0.559 . . . . 65.099999999999994 110.845 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -83.05 -31.18 27.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 74.299999999999997 110.933 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.0 -30.7 68.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 65.299999999999997 111.142 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -70.12 -47.81 60.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 73.400000000000006 110.891 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -59.54 -37.02 77.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 74.200000000000003 110.919 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -76.01 -31.76 59.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 61.200000000000003 110.884 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -72.65 -42.84 63.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 75.299999999999997 110.91 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -60.29 -51.55 69.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 74.5 110.885 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.07 -31.57 72.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 74.400000000000006 110.932 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.58 -49.92 19.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 73.0 111.082 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.6 t -62.65 -39.43 84.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 73.299999999999997 111.059 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.25 -53.09 61.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 73.200000000000003 110.927 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -60.74 -31.55 70.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 75.200000000000003 110.907 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -63.69 -51.97 62.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 75.400000000000006 110.854 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.2 mt -60.04 -31.4 69.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 71.099999999999994 110.907 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -71.9 -31.11 66.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 73.400000000000006 110.869 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.09 -30.64 63.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 65.099999999999994 111.181 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.3 mt -76.61 -46.95 30.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 72.099999999999994 111.127 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -60.17 -44.84 94.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 74.099999999999994 110.911 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -67.17 -43.98 80.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 63.399999999999999 110.893 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -153.45 166.79 31.59 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.188 -0.46 . . . . 64.5 111.211 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -162.78 137.39 6.53 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.881 0.372 . . . . 75.200000000000003 111.379 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -60.6 -54.27 47.41 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 116.15 -0.477 . . . . 73.200000000000003 110.568 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -172.24 -177.26 1.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.884 0.373 . . . . 73.5 110.915 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -61.2 -51.35 69.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.951 -0.568 . . . . 73.200000000000003 110.645 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -60.61 -45.16 95.03 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.826 0.346 . . . . 75.400000000000006 111.045 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.68 -37.32 87.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 74.200000000000003 111.07 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.1 mtmt -63.83 -31.71 72.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.922 -0.581 . . . . 73.099999999999994 110.973 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.33 -44.68 71.15 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 115.914 -0.584 . . . . 74.099999999999994 110.942 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.58 -40.64 92.46 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.972 -0.558 . . . . 71.299999999999997 110.902 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.9 mt -71.36 -41.34 73.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 74.099999999999994 111.033 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -69.08 -46.73 67.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 74.5 110.844 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.14 -36.28 68.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 65.5 111.032 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.4 mttt -72.45 -30.39 64.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.029 -0.532 . . . . 71.299999999999997 110.773 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 79.5 m -74.63 -37.08 62.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 65.200000000000003 110.846 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.85 -51.08 76.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 72.400000000000006 111.089 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -63.17 -33.52 75.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 75.200000000000003 110.894 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.416 ' CZ ' HG23 ' A' ' 13' ' ' VAL . 2.5 m-85 -67.83 -32.36 72.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 75.299999999999997 110.877 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.5 -46.7 75.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 54.399999999999999 110.838 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.51 -35.13 75.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 72.299999999999997 110.911 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -71.06 -39.06 72.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 74.400000000000006 110.91 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.97 -57.86 11.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 111.058 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.84 -30.71 65.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 73.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -69.99 -30.72 68.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 73.099999999999994 110.953 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.4 mt -75.81 -49.44 18.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 74.0 110.932 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -61.25 -31.69 71.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 74.400000000000006 110.88 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -78.29 -31.6 49.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 72.200000000000003 110.878 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -60.36 -43.91 96.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.948 -0.569 . . . . 70.400000000000006 110.822 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.5 mt -78.28 -40.46 36.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.084 -0.507 . . . . 74.200000000000003 110.808 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.183 -0.462 . . . . 40.0 110.841 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.857 0.361 . . . . 75.5 110.947 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -80.03 -25.45 40.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 73.299999999999997 111.118 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.61 -60.37 3.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.376 -0.374 . . . . 64.5 111.06 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.98 -31.05 64.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 72.299999999999997 110.984 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 42.6 t -61.74 -39.94 93.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 54.299999999999997 110.919 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.84 -46.33 62.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 63.100000000000001 110.92 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -60.91 -37.59 82.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 73.200000000000003 110.918 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.35 -49.38 77.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 62.399999999999999 110.885 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.95 -31.23 69.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 72.200000000000003 111.079 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -81.31 -35.7 30.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 52.399999999999999 111.117 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 9.8 tt -60.39 -43.94 96.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 71.200000000000003 110.88 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 44.5 ptt85 -89.38 154.29 20.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 72.200000000000003 110.935 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 6.4 m120 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.248 -0.882 . . . . 74.099999999999994 110.877 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.86 0.362 . . . . 74.099999999999994 110.84 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.5 -46.1 91.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 74.299999999999997 110.876 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -59.73 -32.64 70.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 71.299999999999997 111.127 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -81.34 -31.47 33.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.069 -0.514 . . . . 73.299999999999997 111.366 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.412 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -64.0 -43.54 95.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.047 -0.524 . . . . 72.400000000000006 111.076 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.5 mt -75.12 -37.86 41.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 64.400000000000006 111.069 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.27 -41.8 94.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 74.299999999999997 111.258 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.8 mt -66.85 -43.14 84.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 71.200000000000003 110.87 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.3 t -61.73 -43.89 97.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 72.200000000000003 111.098 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.5 m -57.35 -39.97 77.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 71.099999999999994 110.989 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -70.96 -28.41 64.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 73.5 110.996 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.42 ' HB2' ' CE1' ' A' ' 32' ' ' TYR . . . -77.89 -38.2 46.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 72.400000000000006 111.099 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -49.55 77.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 74.400000000000006 110.731 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.69 -31.54 70.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 71.099999999999994 110.742 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.47 -61.46 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.947 0.403 . . . . 71.400000000000006 110.796 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -57.87 -30.45 65.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.966 -0.561 . . . . 75.400000000000006 111.045 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -68.72 -29.71 68.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.872 0.368 . . . . 73.0 110.962 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.13 30.79 2.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.042 -0.526 . . . . 73.0 111.07 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.5 mttm 59.29 70.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.204 0.526 . . . . 74.5 110.932 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -156.02 73.49 0.82 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.139 -0.482 . . . . 75.400000000000006 110.955 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -69.08 -31.17 69.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.838 -0.619 . . . . 74.200000000000003 110.917 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -57.42 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.389 -0.369 . . . . 74.400000000000006 110.875 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -61.24 -40.9 95.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 74.400000000000006 110.919 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.41 90.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 75.400000000000006 111.094 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -60.45 -33.82 73.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 71.200000000000003 110.86 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -65.05 -58.74 5.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 74.200000000000003 110.885 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 mt -62.85 -33.3 74.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 72.299999999999997 110.895 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.42 ' CE1' ' HB2' ' A' ' 16' ' ' ALA . 2.3 m-85 -64.01 -41.44 97.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 74.200000000000003 110.927 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -60.1 -51.59 68.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 63.399999999999999 110.93 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -60.05 -38.07 81.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 73.299999999999997 110.902 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.83 -59.6 5.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 75.400000000000006 111.093 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.66 -37.4 70.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 65.0 111.16 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -60.17 -38.5 83.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 63.5 110.891 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -75.49 -31.46 60.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 74.099999999999994 110.894 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.412 ' CZ ' ' HB2' ' A' ' 9' ' ' ALA . 5.1 m-85 -65.04 -49.58 69.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 73.400000000000006 110.841 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 69.2 mt -60.36 -48.1 83.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.425 . . . . 64.400000000000006 110.862 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -60.22 -31.53 70.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 62.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.44 -53.47 8.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 73.400000000000006 111.092 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.6 mt -64.46 -34.07 67.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 73.299999999999997 111.068 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -72.56 -36.56 68.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 72.400000000000006 110.917 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -81.75 -31.75 31.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 72.099999999999994 110.911 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -160.28 142.07 12.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 70.400000000000006 110.683 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.2 151.61 37.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.009 -0.541 . . . . 75.099999999999994 111.184 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -70.2 -61.63 1.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 72.200000000000003 110.777 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.6 m -156.2 178.82 9.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.368 -0.378 . . . . 60.200000000000003 110.934 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.48 -48.94 79.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 73.099999999999994 110.989 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.5 tptt -60.38 -48.89 79.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.202 -0.454 . . . . 64.200000000000003 110.822 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.08 -34.72 75.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.326 -0.397 . . . . 71.299999999999997 110.8 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -65.43 -31.95 73.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.953 -0.567 . . . . 74.200000000000003 110.718 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -72.6 -43.2 63.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.105 0.479 . . . . 75.200000000000003 110.929 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.3 m -60.44 -52.2 66.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.026 -0.534 . . . . 71.5 110.872 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.5 mt -62.09 -49.51 83.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.096 -0.502 . . . . 73.400000000000006 111.069 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -60.37 -41.51 93.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 75.5 110.869 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.58 -35.3 68.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 74.299999999999997 111.02 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 16.8 mttt -72.63 -31.32 65.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 74.299999999999997 110.745 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 64.0 m -73.8 -37.67 64.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 73.5 110.875 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 18.8 t -61.42 -50.8 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 63.299999999999997 111.077 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -64.07 -31.36 72.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 64.200000000000003 110.866 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 59' ' ' LYS . 2.2 m-85 -69.28 -31.74 70.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 75.200000000000003 110.925 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.4 mt -69.74 -40.82 75.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 72.400000000000006 110.905 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -60.12 -49.76 76.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 64.099999999999994 110.933 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -65.08 -34.44 78.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 74.200000000000003 110.879 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.61 -52.97 62.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 73.5 111.163 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -59.56 -31.12 69.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 71.200000000000003 110.929 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.12 -31.56 69.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 60.0 110.93 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.9 mt -73.17 -55.02 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 74.400000000000006 110.899 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.9 tttm -58.06 -31.62 67.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 64.099999999999994 110.91 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -75.13 -30.41 60.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 75.099999999999994 110.862 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -61.94 -57.3 12.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.926 -0.579 . . . . 74.200000000000003 110.882 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.7 mp -68.67 -30.7 69.44 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.1 -0.5 . . . . 74.200000000000003 110.643 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.5 ttt85 . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 116.472 -0.331 . . . . 75.0 110.944 179.833 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.875 0.369 . . . . 63.399999999999999 110.951 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -76.52 -43.36 39.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 70.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -57.22 13.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 71.099999999999994 110.887 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 pp -60.06 -37.26 79.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 73.5 110.901 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 11.1 t -64.73 -37.68 88.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 65.299999999999997 110.895 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.57 -43.46 97.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 72.299999999999997 110.859 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -63.16 -35.13 79.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 71.299999999999997 110.898 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 8.8 tt -63.0 -46.31 88.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 71.099999999999994 110.9 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.02 -48.77 80.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 60.100000000000001 111.12 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.32 -31.3 70.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 62.200000000000003 111.095 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 6.8 tp -65.52 -44.75 85.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 70.299999999999997 110.917 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 12.2 mtm105 -81.06 115.42 20.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 73.5 110.899 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 53.3 t30 . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.257 -0.878 . . . . 51.100000000000001 110.929 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.875 0.369 . . . . 62.399999999999999 110.962 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.32 -47.11 80.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 70.099999999999994 110.911 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -60.78 -47.61 85.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.272 -0.422 . . . . 73.400000000000006 110.951 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -62.52 -31.84 72.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 74.299999999999997 111.1 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -65.66 -51.58 58.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 75.099999999999994 111.117 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 mt -62.59 -39.02 83.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.46 . . . . 61.399999999999999 111.072 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -59.73 -44.43 93.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 65.400000000000006 110.862 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.0 mt -66.49 -39.81 88.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 74.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.6 t -65.94 -38.7 82.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 71.400000000000006 111.084 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.0 m -57.08 -52.96 63.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 72.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.3 mttp -62.6 -27.15 69.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 64.400000000000006 110.974 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.413 ' HB2' ' CD2' ' A' ' 32' ' ' TYR . . . -76.15 -37.87 57.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.405 . . . . 64.099999999999994 111.071 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -42.8 96.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 52.399999999999999 110.695 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -67.69 -41.17 84.05 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 116.439 -0.346 . . . . 64.400000000000006 110.598 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -53.94 52.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.571 -0.286 . . . . 60.299999999999997 110.909 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -58.06 -29.68 65.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.493 -0.321 . . . . 73.400000000000006 111.012 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -83.76 -25.4 30.54 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.446 -0.343 . . . . 44.299999999999997 111.024 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.72 28.77 3.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.331 -0.395 . . . . 71.400000000000006 111.308 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.0 mttm 58.91 38.01 24.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.331 -0.395 . . . . 71.400000000000006 111.034 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -121.24 77.73 1.35 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 60.200000000000003 110.877 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -74.38 -31.99 62.58 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.19 -0.459 . . . . 72.299999999999997 110.931 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -62.54 -60.0 4.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.358 . . . . 70.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -64.58 -36.68 85.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 71.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.54 -48.8 80.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 74.299999999999997 111.142 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.08 -40.98 91.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 64.200000000000003 110.872 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -60.03 -60.35 3.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 75.299999999999997 110.904 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.0 mt -61.16 -31.37 71.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 71.299999999999997 110.925 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.413 ' CD2' ' HB2' ' A' ' 16' ' ' ALA . 2.3 m-85 -66.71 -40.13 88.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 73.5 110.864 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -60.04 -54.53 44.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 73.200000000000003 110.936 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -60.37 -33.96 73.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 73.099999999999994 110.868 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.12 -55.77 22.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 65.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.4 t -63.26 -36.68 77.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 74.299999999999997 111.04 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -60.03 -37.93 81.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 74.299999999999997 110.904 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -74.17 -33.76 63.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 72.299999999999997 110.84 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.419 ' CZ ' ' HB2' ' A' ' 9' ' ' ALA . 3.9 m-85 -62.19 -52.63 63.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 74.400000000000006 110.869 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.5 mt -59.67 -41.05 89.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.200000000000003 110.859 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.49 -31.47 70.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 61.200000000000003 110.922 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.57 -31.34 63.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 71.099999999999994 111.088 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.7 mt -75.54 -49.1 28.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 75.299999999999997 111.151 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -62.32 -31.59 72.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 72.299999999999997 110.887 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -81.45 -74.54 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 74.400000000000006 110.887 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -134.38 114.66 13.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.913 -0.585 . . . . 75.400000000000006 110.819 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.57 -175.41 2.79 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.124 0.488 . . . . 51.399999999999999 111.258 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -106.35 -65.94 1.04 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.858 0.361 . . . . 64.400000000000006 110.908 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 m -162.76 -177.61 5.64 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.062 -0.517 . . . . 63.5 111.117 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -61.96 -50.64 71.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.997 0.427 . . . . 71.0 110.908 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -60.29 -44.72 95.12 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.037 -0.529 . . . . 60.200000000000003 110.866 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.68 -45.42 78.9 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.057 -0.52 . . . . 72.400000000000006 111.234 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm -60.32 -33.52 72.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 65.200000000000003 110.866 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -70.65 -34.44 72.06 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.082 -0.508 . . . . 75.099999999999994 110.874 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.12 -45.25 85.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.036 0.446 . . . . 74.299999999999997 111.08 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.8 mt -63.21 -35.3 71.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 73.400000000000006 110.933 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -60.38 -51.5 69.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 73.200000000000003 110.866 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.76 -30.5 68.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 75.299999999999997 111.109 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt -75.28 -30.96 60.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 74.299999999999997 110.842 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 65.7 m -81.7 -44.87 16.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 70.299999999999997 110.941 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.2 p -58.63 -39.15 75.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 73.099999999999994 111.102 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.79 -41.4 65.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 73.299999999999997 110.899 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -69.4 -31.49 69.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 73.5 110.877 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -49.19 72.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 70.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -60.29 -37.6 80.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 74.5 110.874 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -31.68 69.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 71.5 110.841 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.48 -57.58 9.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 75.099999999999994 111.06 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -58.71 -31.18 68.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 75.099999999999994 110.974 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -66.1 -31.86 72.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 74.400000000000006 110.852 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.0 mp -76.42 -49.43 16.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 74.299999999999997 110.883 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -31.45 70.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 74.299999999999997 110.924 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -78.22 -31.49 49.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 52.100000000000001 110.862 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -64.93 -40.09 94.5 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.233 -0.44 . . . . 73.200000000000003 110.898 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.6 mt -82.13 -34.56 29.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.05 0.452 . . . . 55.299999999999997 110.936 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.8 ttp85 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 115.986 -0.552 . . . . 74.099999999999994 110.89 -179.86 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.83 0.348 . . . . 71.5 110.999 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -64.49 -30.7 71.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 75.5 110.976 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -59.63 -60.46 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 52.399999999999999 110.959 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.6 -31.3 63.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 75.099999999999994 110.969 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 40.9 t -60.53 -37.57 81.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 75.099999999999994 110.912 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -74.24 -45.36 48.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 75.299999999999997 110.866 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -60.37 -31.89 70.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 75.299999999999997 110.875 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.9 tt -70.79 -43.6 68.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 72.400000000000006 110.924 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.97 -31.24 69.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 65.400000000000006 111.089 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -82.05 -31.29 30.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 74.400000000000006 111.067 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 8.8 tp -60.41 -52.85 63.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 71.400000000000006 110.901 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -85.32 157.9 20.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 72.400000000000006 110.925 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.301 -0.857 . . . . 64.099999999999994 110.946 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.791 0.329 . . . . 74.0 110.861 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 mp -60.85 -42.46 97.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 75.099999999999994 111.012 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -59.68 -34.53 72.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 73.099999999999994 110.699 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.13 -37.84 37.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 75.5 111.06 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.41 ' HB1' ' CZ ' ' A' ' 39' ' ' PHE . . . -60.7 -51.27 70.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.023 -0.535 . . . . 74.5 111.06 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.0 mt -68.22 -32.73 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 70.299999999999997 111.065 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -59.96 -39.52 85.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 65.099999999999994 110.845 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.47 -43.1 73.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 72.099999999999994 110.855 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.9 t -59.96 -42.91 91.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 54.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.2 m -57.82 -48.59 79.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 75.299999999999997 110.899 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -63.72 -28.97 70.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 73.200000000000003 110.896 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.42 -34.92 54.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 74.099999999999994 110.977 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -45.36 93.74 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.19 -0.459 . . . . 74.5 110.66 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -70.34 -35.8 73.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.267 -0.424 . . . . 71.099999999999994 110.772 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.44 -49.58 58.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.077 -0.51 . . . . 71.0 110.822 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -59.46 -48.12 82.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.075 -0.511 . . . . 74.099999999999994 110.748 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.56 -23.75 67.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.469 -0.332 . . . . 63.0 111.117 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.62 28.61 3.31 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.254 -0.43 . . . . 72.5 111.267 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt 57.23 65.21 1.42 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.296 -0.411 . . . . 71.299999999999997 110.814 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -138.79 71.69 1.39 Allowed 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.127 -0.488 . . . . 74.5 110.867 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -64.16 -30.51 71.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.354 -0.385 . . . . 74.299999999999997 110.908 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.14 -60.25 2.33 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.382 -0.372 . . . . 72.400000000000006 110.793 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -62.23 -44.21 97.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 74.400000000000006 110.918 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.14 -31.35 67.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 72.5 111.216 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -74.64 -46.64 36.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 73.400000000000006 110.917 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -59.54 -37.7 79.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 72.299999999999997 110.94 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mt -74.65 -33.89 62.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 74.400000000000006 110.925 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -59.88 -54.03 50.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 73.400000000000006 110.907 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.71 -44.19 93.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 52.299999999999997 110.866 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -60.23 -37.78 81.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 73.099999999999994 110.88 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.71 -45.85 60.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 71.0 111.121 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.5 t -62.46 -41.27 91.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 74.200000000000003 111.081 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -60.24 -41.55 93.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 74.200000000000003 110.92 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -69.08 -34.33 74.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 74.5 110.907 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.41 ' CZ ' ' HB1' ' A' ' 9' ' ' ALA . 2.6 m-85 -66.54 -49.37 66.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 74.299999999999997 110.883 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.0 mt -60.04 -31.47 70.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 63.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -71.07 -31.3 67.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 74.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.54 -30.8 63.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 72.400000000000006 111.131 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.4 mt -76.11 -49.74 24.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 72.200000000000003 111.113 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -60.09 -41.94 93.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 74.400000000000006 110.883 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -71.83 -73.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 75.299999999999997 110.875 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -132.95 106.47 7.7 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.214 -0.448 . . . . 64.099999999999994 111.161 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.65 -178.95 4.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 75.099999999999994 111.085 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -101.59 -66.93 0.89 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.937 -0.574 . . . . 75.400000000000006 110.908 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 m -163.1 179.78 7.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 62.299999999999997 110.584 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.07 -50.06 75.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.972 0.415 . . . . 72.299999999999997 110.992 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.58 -43.39 97.38 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.94 -0.573 . . . . 71.200000000000003 111.035 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.39 -38.81 88.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 74.400000000000006 110.981 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -60.17 -31.72 70.38 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.947 0.403 . . . . 73.299999999999997 111.02 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -75.79 -43.87 44.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.221 -0.445 . . . . 74.200000000000003 110.849 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.2 m -61.7 -51.55 67.92 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.168 -0.469 . . . . 63.200000000000003 110.777 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.5 mt -61.64 -44.93 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.046 -0.525 . . . . 74.099999999999994 110.959 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 52.9 ttp85 -62.22 -43.65 98.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.423 . . . . 75.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.89 -32.89 66.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.424 . . . . 71.099999999999994 110.98 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.401 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 4.3 tptt -73.84 -31.11 63.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 74.099999999999994 110.752 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.6 m -74.14 -34.84 64.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 72.400000000000006 110.832 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.6 t -66.61 -42.73 90.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 74.5 111.07 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.23 -35.49 80.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 74.099999999999994 110.846 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 59' ' ' LYS . 9.2 m-85 -67.28 -32.4 73.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 73.200000000000003 110.86 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -38.48 78.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 74.400000000000006 110.888 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.19 -56.88 16.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 74.299999999999997 110.893 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -60.09 -46.33 89.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 72.099999999999994 110.849 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.15 -45.43 87.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 74.200000000000003 111.09 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -57.51 -31.75 66.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 74.099999999999994 110.756 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.8 tttp -84.0 -28.53 27.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 62.200000000000003 111.088 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.3 mt -66.68 -43.54 84.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.332 -0.394 . . . . 74.299999999999997 110.847 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -74.8 -42.5 57.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 75.200000000000003 110.86 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.0 -30.53 71.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 75.200000000000003 110.976 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -67.6 -53.39 28.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.02 -0.536 . . . . 71.5 110.869 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.1 mt -59.58 -53.65 55.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 64.200000000000003 110.949 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 116.394 -0.366 . . . . 71.099999999999994 110.959 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.835 0.35 . . . . 72.099999999999994 110.946 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.32 -29.47 65.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 72.400000000000006 110.941 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -58.62 -60.48 3.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 72.299999999999997 111.0 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.99 -29.84 67.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 62.100000000000001 111.006 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 2.8 m -66.62 -46.73 74.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 75.0 110.956 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -61.61 -44.04 97.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 73.299999999999997 110.884 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -62.69 -32.62 73.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 73.5 110.884 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.73 -51.59 68.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 61.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.05 -35.18 74.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 65.5 111.118 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.99 -35.66 80.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 55.299999999999997 111.093 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 7.9 mt -64.55 -38.64 91.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 64.200000000000003 110.913 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -98.45 35.57 1.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 74.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 5.1 m120 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.208 -0.901 . . . . 65.299999999999997 110.901 -179.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.769 0.319 . . . . 63.399999999999999 110.892 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.33 -44.47 79.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 64.400000000000006 111.124 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -31.38 70.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.303 -0.408 . . . . 75.5 111.312 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -80.33 -31.74 38.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 73.5 110.81 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.88 -39.27 79.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 74.400000000000006 111.116 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.8 mt -77.65 -49.51 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 74.299999999999997 111.084 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -59.25 -31.26 68.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 75.400000000000006 110.932 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.7 mt -71.77 -52.78 15.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 74.5 110.902 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.443 ' CG2' ' CE1' ' A' ' 63' ' ' TYR . 11.6 p -64.08 -35.19 72.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 74.299999999999997 111.116 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 75.0 m -59.26 -49.26 78.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 70.200000000000003 110.886 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt -62.34 -31.82 72.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 74.099999999999994 110.836 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.59 -39.36 80.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 72.5 111.097 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.34 -45.57 92.98 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.143 -0.48 . . . . 62.100000000000001 110.77 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -61.61 -40.79 96.07 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.778 0.323 . . . . 63.399999999999999 110.863 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -59.17 -50.38 74.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.337 -0.392 . . . . 75.200000000000003 110.834 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -57.76 -30.04 65.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 75.400000000000006 111.027 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -80.03 -26.57 39.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 75.299999999999997 111.003 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.35 29.92 3.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.478 -0.328 . . . . 74.200000000000003 111.08 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt 58.25 37.2 26.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 74.200000000000003 111.214 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -120.76 78.75 1.41 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.239 -0.437 . . . . 71.400000000000006 110.979 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' A' ' 73' ' ' TYR . 23.8 m-85 -74.59 -33.82 62.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 71.400000000000006 110.817 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -63.06 -49.12 75.79 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.814 0.34 . . . . 63.399999999999999 110.804 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -69.79 -42.42 73.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 52.399999999999999 110.911 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 32' ' ' TYR . . . -59.69 -45.48 91.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 53.200000000000003 111.129 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.37 -42.79 96.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 72.400000000000006 110.927 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -60.24 -57.87 10.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 74.400000000000006 110.928 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.8 mt -60.49 -31.63 70.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 73.200000000000003 110.915 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 28' ' ' ALA . 2.3 m-85 -64.06 -42.57 96.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 74.099999999999994 110.896 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -60.12 -57.6 12.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 74.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -60.12 -33.38 72.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 75.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.73 -61.91 2.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 75.400000000000006 111.09 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.89 -33.82 53.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 74.5 111.113 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -60.33 -38.78 84.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 71.400000000000006 110.882 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -73.53 -32.04 64.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 73.5 110.913 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -64.57 -53.02 54.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 64.400000000000006 110.875 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.4 mt -60.0 -39.57 86.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 73.400000000000006 110.908 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -60.38 -31.58 70.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 75.400000000000006 110.895 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.03 -31.08 61.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 44.399999999999999 111.134 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 21.9 mt -75.82 -50.88 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 72.400000000000006 111.107 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -31.65 70.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 61.299999999999997 110.879 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -82.44 -74.37 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 72.400000000000006 110.926 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -134.72 111.28 9.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 70.400000000000006 110.939 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -107.52 153.17 23.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.16 0.505 . . . . 60.200000000000003 111.226 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -67.06 -65.82 0.63 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.321 -0.399 . . . . 62.399999999999999 111.034 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.7 m -163.84 -177.03 4.88 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.045 -0.525 . . . . 61.5 111.091 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -62.36 -49.67 74.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.927 0.394 . . . . 74.299999999999997 110.871 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.45 -49.75 76.33 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.119 -0.491 . . . . 70.400000000000006 111.038 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.14 -41.77 93.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 71.299999999999997 111.069 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -60.27 -31.39 70.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 75.200000000000003 110.832 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -68.12 -43.08 79.2 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.068 -0.514 . . . . 74.200000000000003 110.902 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.6 p -60.45 -39.71 88.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 74.299999999999997 111.012 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.422 HD12 HG22 ' A' ' 56' ' ' ILE . 36.1 mt -71.84 -39.3 67.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.958 -0.565 . . . . 70.400000000000006 111.105 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -59.42 -56.29 23.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 73.400000000000006 110.864 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.97 -35.38 69.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 63.100000000000001 110.974 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.405 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 12.4 mmtp -74.53 -30.43 61.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 74.299999999999997 110.735 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 81.4 m -78.85 -40.3 32.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 72.099999999999994 110.849 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.6 t -60.85 -40.79 86.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 75.400000000000006 111.037 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -72.31 -36.51 68.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 73.400000000000006 110.85 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.443 ' CE1' ' CG2' ' A' ' 13' ' ' VAL . 2.5 m-85 -64.49 -33.61 76.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 75.099999999999994 110.87 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.9 mt -72.61 -38.26 67.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 62.100000000000001 110.86 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -60.6 -36.37 78.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 71.299999999999997 110.865 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.0 mmm-85 -71.5 -39.39 70.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 75.299999999999997 110.917 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.67 -49.2 78.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 70.400000000000006 111.073 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -60.13 -38.65 83.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 73.400000000000006 110.874 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.32 -33.93 76.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 63.399999999999999 110.855 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.2 mp -68.46 -34.81 76.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 72.299999999999997 110.843 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -49.25 75.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 74.099999999999994 110.896 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -64.29 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 74.200000000000003 110.927 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' A' ' 25' ' ' TYR . 11.4 t80 -60.54 -43.1 97.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.862 -0.608 . . . . 62.399999999999999 110.802 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mt -84.43 -32.34 24.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.244 0.545 . . . . 73.200000000000003 111.032 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.004 -0.544 . . . . 73.200000000000003 110.931 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.856 0.36 . . . . 74.299999999999997 110.894 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -71.39 -29.4 64.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 74.200000000000003 110.981 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -58.68 -60.42 3.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 74.400000000000006 110.961 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.84 -30.37 68.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 54.299999999999997 110.951 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 31.0 m -60.26 -46.26 90.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 71.400000000000006 110.923 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.43 -39.43 88.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 71.400000000000006 110.903 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 19.3 mtt180 -61.34 -31.61 71.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 73.400000000000006 110.91 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.47 -51.38 44.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 70.400000000000006 110.891 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.48 -43.2 99.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 72.400000000000006 111.087 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.25 -36.65 84.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 72.299999999999997 111.125 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 9.5 tt -62.39 -42.97 99.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 72.400000000000006 110.894 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 5.7 ptt180 -81.1 141.88 33.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 75.099999999999994 110.882 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 9.0 p30 . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.204 -0.903 . . . . 55.5 110.889 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.4 m . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.812 0.339 . . . . 63.200000000000003 110.858 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.51 -50.24 59.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 62.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 33.3 tp60 -57.33 -37.41 72.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 75.400000000000006 111.142 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -67.12 -31.37 71.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 70.0 111.104 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.55 -30.56 68.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.013 -0.54 . . . . 73.299999999999997 111.106 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.4 mm -70.41 -48.66 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 63.5 111.106 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -59.41 -34.1 72.05 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.176 -0.465 . . . . 64.099999999999994 111.442 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -70.2 -54.95 10.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.041 -0.527 . . . . 72.099999999999994 110.848 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.4 p -60.5 -36.55 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 63.0 111.113 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.0 m -59.93 -50.93 71.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.400000000000006 110.847 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -60.16 -31.62 70.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 71.299999999999997 110.877 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.79 -38.93 76.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 63.399999999999999 111.092 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.45 -40.8 92.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 71.299999999999997 110.839 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -68.92 -44.65 72.67 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-O 121.122 0.487 . . . . 75.099999999999994 110.95 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -53.46 58.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.557 . . . . 74.400000000000006 110.808 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -57.39 -30.17 64.68 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 116.018 -0.537 . . . . 74.099999999999994 111.225 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -83.93 -25.19 30.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 73.400000000000006 110.984 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.98 29.06 3.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.709 0.29 . . . . 61.399999999999999 111.168 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt 58.86 36.79 24.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.31 -0.404 . . . . 72.200000000000003 110.909 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 -118.9 77.98 1.24 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.94 0.4 . . . . 74.299999999999997 110.766 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.488 ' CE2' ' CE1' ' A' ' 73' ' ' TYR . 17.2 m-85 -68.77 -42.33 77.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.506 . . . . 73.299999999999997 110.905 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.24 -59.85 4.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.329 -0.396 . . . . 74.200000000000003 110.867 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -61.03 -31.67 71.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 71.400000000000006 110.919 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.31 -30.69 67.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 72.099999999999994 111.119 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -71.19 -47.63 56.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 74.5 110.927 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.4 ptm85 -58.98 -36.17 74.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 74.400000000000006 110.913 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -74.64 -46.6 37.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 75.299999999999997 110.875 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -60.41 -39.46 87.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 71.099999999999994 110.901 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -60.19 -56.43 21.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 62.100000000000001 110.885 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.498 ' CD2' ' CE2' ' A' ' 38' ' ' TYR . 1.3 t-160 -61.11 -31.55 71.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 63.399999999999999 110.898 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.36 -61.82 2.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 64.099999999999994 111.151 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.71 -34.18 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 75.5 111.136 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -59.66 -39.57 84.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 74.099999999999994 110.903 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.498 ' CE2' ' CD2' ' A' ' 34' ' ' HIS . 7.9 m-85 -72.19 -34.6 68.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 74.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -65.52 -48.69 71.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 75.5 110.907 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.2 mt -59.46 -38.65 81.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 73.299999999999997 110.938 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -64.39 -31.28 72.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 73.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.64 -33.88 71.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 50.299999999999997 111.064 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.0 mt -71.89 -52.4 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 53.299999999999997 111.122 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -60.13 -31.42 70.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 72.400000000000006 110.915 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -83.28 -73.1 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 75.099999999999994 110.919 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -141.71 115.23 8.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.001 -0.545 . . . . 75.400000000000006 110.659 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -98.03 166.08 11.6 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.12 -0.491 . . . . 74.099999999999994 110.969 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -84.97 -58.06 2.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.386 -0.37 . . . . 61.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.6 p -172.45 179.02 2.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.98 -0.554 . . . . 74.200000000000003 110.695 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.96 -47.35 86.82 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.927 -0.579 . . . . 70.200000000000003 110.854 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -46.43 90.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.354 -0.384 . . . . 51.299999999999997 110.841 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.74 -44.09 74.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 54.299999999999997 110.954 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -60.12 -31.85 70.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 75.200000000000003 110.884 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -74.36 -32.51 62.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 71.099999999999994 110.893 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.89 -33.3 73.54 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.06 -0.518 . . . . 72.099999999999994 110.832 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.4 mt -75.44 -34.98 31.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.957 -0.565 . . . . 74.200000000000003 111.113 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -59.84 -58.26 9.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 75.200000000000003 110.878 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.96 -41.09 82.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 55.100000000000001 111.046 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 8.4 mttp -67.19 -30.34 70.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 74.5 110.818 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 12.9 m -74.02 -40.98 62.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 72.400000000000006 110.862 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.66 -38.78 77.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 71.299999999999997 111.12 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -76.36 -30.77 57.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 61.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 59' ' ' LYS . 3.4 m-85 -69.16 -52.76 24.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 72.299999999999997 110.921 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.6 pp -60.65 -36.56 78.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 65.400000000000006 110.908 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.36 -41.61 94.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 45.200000000000003 110.795 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -70.61 -31.21 68.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 72.099999999999994 110.831 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.93 -58.06 7.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 72.400000000000006 111.109 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.66 -30.93 67.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 74.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -69.55 -31.11 69.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 74.099999999999994 110.885 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 64.8 mt -77.88 -46.98 19.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 64.400000000000006 110.899 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.5 tptt -60.0 -31.36 69.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 74.200000000000003 110.897 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.61 -31.45 41.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 75.200000000000003 110.959 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.488 ' CE1' ' CE2' ' A' ' 25' ' ' TYR . 36.9 t80 -60.15 -43.83 95.45 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.191 -0.458 . . . . 75.400000000000006 110.884 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.8 mt -77.55 -32.59 53.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.327 0.584 . . . . 74.299999999999997 111.139 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 115.972 -0.558 . . . . 74.299999999999997 110.899 -179.829 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.794 0.331 . . . . 73.099999999999994 110.918 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -65.31 -30.66 71.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 71.200000000000003 110.928 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -60.5 3.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.419 . . . . 73.200000000000003 110.934 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.44 -31.45 63.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 73.400000000000006 110.918 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 41.5 t -60.6 -42.94 97.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 72.200000000000003 110.862 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -68.48 -46.18 70.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 63.5 110.926 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 59.5 mtp85 -60.48 -39.77 88.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 74.400000000000006 110.837 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 8.4 tt -62.07 -37.69 85.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 64.200000000000003 110.868 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.83 -48.3 82.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 72.0 111.075 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.87 -30.76 70.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 72.400000000000006 111.06 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 6.0 tt -59.94 -57.94 10.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 74.400000000000006 110.923 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.31 119.74 18.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 72.5 110.905 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.23 -0.891 . . . . 71.400000000000006 110.879 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.834 0.349 . . . . 70.099999999999994 110.922 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.54 -44.76 81.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 74.299999999999997 110.848 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -60.66 -30.66 70.04 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.21 -0.45 . . . . 63.100000000000001 111.27 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.0 mmtt -84.07 -32.36 24.84 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.084 -0.507 . . . . 74.0 110.876 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.48 -37.95 89.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 64.0 111.067 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.3 mt -78.69 -48.69 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 75.099999999999994 111.08 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.75 -30.94 67.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 61.200000000000003 111.074 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.6 mt -71.78 -53.76 12.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 73.400000000000006 110.899 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.416 HG22 ' CZ ' ' A' ' 63' ' ' TYR . 11.8 p -63.14 -34.14 65.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 65.299999999999997 111.1 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 81.0 m -58.47 -53.31 59.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 71.299999999999997 110.926 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -60.41 -31.87 70.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 75.5 110.83 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.59 -41.1 89.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 51.100000000000001 111.008 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.28 -42.72 96.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 75.400000000000006 110.691 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -64.31 -36.31 83.69 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 116.203 -0.453 . . . . 73.099999999999994 110.719 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -71.67 -46.33 59.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.266 -0.424 . . . . 64.400000000000006 110.94 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -62.27 -32.33 73.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.018 -0.537 . . . . 71.400000000000006 110.981 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.1 pttt -88.02 -25.63 23.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 74.299999999999997 111.13 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.98 29.01 3.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.474 -0.33 . . . . 70.099999999999994 111.279 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.1 mttt 56.96 70.49 0.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.302 -0.408 . . . . 74.400000000000006 111.175 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -156.11 77.3 0.94 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.101 -0.499 . . . . 74.200000000000003 110.975 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -76.83 -32.73 57.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 73.099999999999994 110.907 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.49 -47.89 74.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.898 -0.592 . . . . 64.200000000000003 110.992 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.91 -36.33 59.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 75.200000000000003 110.866 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.93 -42.51 89.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 62.5 111.113 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -60.14 -36.43 77.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 61.200000000000003 110.837 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -60.24 -47.11 87.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 73.200000000000003 110.819 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.48 -40.35 85.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 75.400000000000006 110.927 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -59.93 -38.6 82.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 73.200000000000003 110.931 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -61.52 -58.66 7.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 74.400000000000006 110.886 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -63.16 -37.62 87.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 71.400000000000006 110.864 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.96 -55.0 39.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 65.400000000000006 111.089 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.9 t -63.24 -41.2 91.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 71.299999999999997 111.094 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -60.15 -44.37 95.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 75.400000000000006 110.942 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -65.93 -31.69 72.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 72.299999999999997 110.903 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -66.9 -51.74 51.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 73.400000000000006 110.911 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.6 mt -59.82 -39.45 85.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 74.299999999999997 110.899 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -63.09 -31.44 72.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 74.5 110.914 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.58 -31.14 64.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 74.200000000000003 111.099 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.4 mt -75.74 -51.8 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 74.200000000000003 111.101 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -31.62 70.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 62.200000000000003 110.877 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -79.54 -41.53 27.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 75.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -156.58 164.67 37.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 72.200000000000003 111.057 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.51 131.12 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.314 -0.403 . . . . 61.200000000000003 111.012 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -63.43 -58.31 7.45 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.411 -0.359 . . . . 74.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.7 m -156.55 -178.68 7.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 74.400000000000006 110.526 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.62 -35.23 77.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 71.200000000000003 110.799 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.58 -46.87 86.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.391 -0.368 . . . . 74.299999999999997 110.814 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.13 -41.89 94.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.982 -0.554 . . . . 73.400000000000006 111.169 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -60.75 -33.56 73.11 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.277 -0.42 . . . . 51.399999999999999 110.838 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.49 -43.48 60.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.306 -0.406 . . . . 62.399999999999999 110.929 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 95.0 p -60.98 -48.27 82.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 73.200000000000003 110.941 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.8 mt -63.14 -36.88 77.77 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.272 0 CA-C-N 116.394 -0.366 . . . . 72.400000000000006 110.864 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -60.38 -52.65 64.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.349 -0.387 . . . . 74.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.04 -31.38 65.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 71.200000000000003 111.003 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.403 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 20.5 mttm -77.22 -31.13 54.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 72.5 110.766 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 71.6 m -78.09 -34.67 50.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.146 -0.479 . . . . 62.100000000000001 110.784 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 29.8 t -68.02 -40.11 82.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 74.400000000000006 111.02 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -72.44 -32.09 66.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 74.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.416 ' CZ ' HG22 ' A' ' 13' ' ' VAL . 3.0 m-85 -70.8 -34.5 71.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 70.099999999999994 110.859 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.6 mt -69.65 -39.22 77.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 72.299999999999997 110.855 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -60.2 -49.24 78.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 64.200000000000003 110.891 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.5 ttt85 -62.04 -32.21 72.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 74.200000000000003 110.846 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.4 -55.53 33.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 73.400000000000006 111.065 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -58.57 -30.93 67.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 74.0 110.97 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -69.14 -30.95 69.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 73.200000000000003 110.915 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.7 mp -80.59 -50.24 10.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 73.5 110.923 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.04 -31.55 71.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 63.200000000000003 110.924 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.59 -30.94 41.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 74.099999999999994 110.956 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -60.19 -45.49 92.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.88 -0.6 . . . . 73.400000000000006 110.57 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.5 mt -83.79 -41.53 17.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.419 -0.355 . . . . 61.5 110.848 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.321 -0.639 0 CA-C-N 116.204 -0.453 . . . . 71.299999999999997 110.896 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.89 0.376 . . . . 74.0 110.921 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -73.15 -30.04 63.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 74.299999999999997 110.959 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -60.4 3.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 60.399999999999999 110.966 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -70.79 -29.44 65.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 63.100000000000001 110.919 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 35.0 t -65.81 -40.14 91.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.411 . . . . 71.099999999999994 110.931 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -66.83 -46.41 75.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 74.299999999999997 110.901 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -60.3 -32.05 70.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 73.200000000000003 110.896 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.8 tt -63.54 -51.79 63.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 71.5 110.874 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.9 -44.44 94.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 43.399999999999999 111.092 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.47 -31.94 72.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 63.200000000000003 111.118 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 5.1 tp -61.18 -54.53 43.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 74.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -61.52 114.29 3.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 73.299999999999997 110.877 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 5.0 t30 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.258 -0.877 . . . . 74.299999999999997 110.883 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.837 0.351 . . . . 74.299999999999997 110.871 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.31 -48.34 82.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 63.100000000000001 110.848 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -58.23 -37.69 75.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 50.200000000000003 110.807 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.7 mmtt -75.24 -30.51 60.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 75.400000000000006 111.295 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.26 -53.4 49.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.018 -0.537 . . . . 52.5 111.043 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.7 mt -64.08 -34.18 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 74.299999999999997 111.082 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.87 -41.22 86.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 65.099999999999994 110.891 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mt -67.34 -40.08 85.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 74.099999999999994 110.817 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.9 t -64.95 -38.09 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 73.400000000000006 111.065 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.06 -57.85 11.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 73.299999999999997 110.953 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -58.49 -26.12 63.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 73.200000000000003 111.076 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 32' ' ' TYR . . . -76.95 -37.85 54.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 73.0 111.084 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -37.36 81.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 74.400000000000006 110.733 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -74.23 -36.87 63.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.701 -0.681 . . . . 65.099999999999994 110.884 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.41 -49.84 44.74 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.833 -0.621 . . . . 74.400000000000006 110.867 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -59.03 -33.16 70.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.096 -0.502 . . . . 75.400000000000006 110.826 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 pttp -88.15 -26.34 22.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.747 0.308 . . . . 71.200000000000003 111.045 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.34 29.7 3.12 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.209 -0.451 . . . . 71.400000000000006 111.209 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.3 mttp 57.77 70.26 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.254 0.55 . . . . 72.0 111.151 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 -154.89 62.33 0.65 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.182 -0.463 . . . . 72.099999999999994 110.658 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.43 ' CE2' ' CE2' ' A' ' 73' ' ' TYR . 23.5 m-85 -64.07 -32.26 73.75 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-O 120.874 0.369 . . . . 74.099999999999994 110.975 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -67.45 -39.98 85.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.964 -0.562 . . . . 72.400000000000006 110.782 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.96 -31.98 27.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 62.100000000000001 110.886 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.77 -43.49 68.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 55.299999999999997 111.159 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.46 -48.51 81.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 73.400000000000006 110.914 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -59.39 -43.12 93.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 74.400000000000006 110.95 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.7 mt -72.1 -42.15 66.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 60.100000000000001 110.826 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.419 ' CZ ' ' HB2' ' A' ' 16' ' ' ALA . 3.7 m-85 -63.16 -38.64 91.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 74.5 110.93 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -59.98 -57.57 12.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 44.399999999999999 110.908 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -60.22 -31.57 70.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 75.099999999999994 110.916 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.05 -51.67 68.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 75.0 111.144 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.58 -39.68 80.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 54.299999999999997 111.121 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -60.58 -31.94 71.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 63.200000000000003 110.908 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -77.86 -32.13 51.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 75.299999999999997 110.863 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -67.65 -53.48 27.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.8 mt -59.41 -42.23 91.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 70.099999999999994 110.922 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.468 ' CE1' ' CZ ' ' A' ' 45' ' ' TYR . 1.2 t-80 -61.29 -31.44 71.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 65.099999999999994 110.922 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.94 -31.13 66.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 74.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.8 mt -73.84 -48.85 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 74.400000000000006 111.105 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.417 ' HD3' ' CD2' ' A' ' 41' ' ' HIS . 0.1 OUTLIER -64.48 -36.71 85.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 75.400000000000006 110.884 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.468 ' CZ ' ' CE1' ' A' ' 41' ' ' HIS . 2.3 m-85 -70.42 -72.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 74.200000000000003 110.871 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -131.3 109.01 10.06 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.209 -0.451 . . . . 71.099999999999994 110.938 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -107.57 166.3 10.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 72.0 111.132 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -101.81 -63.3 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 75.400000000000006 110.856 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.4 m -157.87 178.41 10.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 72.5 110.994 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -60.96 -37.27 81.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 74.299999999999997 110.841 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -54.96 31.97 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.153 -0.476 . . . . 73.200000000000003 110.864 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.94 95.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 71.5 111.194 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.5 mtmt -60.4 -31.63 70.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.082 -0.508 . . . . 53.200000000000003 110.68 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -76.42 -45.7 30.4 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.906 0.384 . . . . 72.5 110.936 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 76.2 p -60.36 -43.47 96.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.091 -0.504 . . . . 74.0 111.055 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.7 mt -67.53 -41.58 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 72.400000000000006 110.905 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -66.85 -44.79 80.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 64.099999999999994 110.869 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.32 -35.73 67.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 75.099999999999994 111.02 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.62 -30.94 64.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 71.299999999999997 110.724 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 66.9 m -73.85 -36.28 64.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 72.400000000000006 110.847 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.5 t -62.96 -49.98 81.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 64.099999999999994 111.067 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -62.82 -33.99 76.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 72.099999999999994 110.878 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -69.13 -34.61 75.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 74.299999999999997 110.856 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.59 -42.92 98.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 74.099999999999994 110.814 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.38 -48.78 80.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 73.299999999999997 110.907 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 -59.78 -44.03 94.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 71.200000000000003 110.883 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.67 -45.43 85.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 63.100000000000001 111.119 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -57.6 -34.6 69.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 62.100000000000001 110.686 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.83 -29.76 40.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.104 -0.498 . . . . 74.299999999999997 111.06 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.7 mt -64.93 -52.77 54.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 72.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -66.57 -37.35 84.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 75.400000000000006 110.848 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -66.35 -31.06 71.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.099999999999994 110.84 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.43 ' CE2' ' CE2' ' A' ' 25' ' ' TYR . 79.9 t80 -66.21 -52.48 47.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.867 0.365 . . . . 73.400000000000006 110.906 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mt -68.15 -44.81 75.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 74.400000000000006 110.981 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.236 -0.438 . . . . 72.5 111.154 179.881 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.862 0.363 . . . . 74.5 110.914 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -69.58 -29.88 67.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 75.200000000000003 110.99 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -59.08 -60.42 3.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 74.099999999999994 111.008 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.21 -29.59 64.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 73.400000000000006 110.939 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 38.9 t -60.7 -50.47 73.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 74.5 110.877 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -63.91 -41.33 97.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 73.099999999999994 110.885 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 -60.19 -40.92 91.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 75.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.6 tt -62.16 -37.19 84.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 63.200000000000003 110.872 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.85 -46.18 90.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 72.400000000000006 111.103 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.37 -31.19 57.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 71.299999999999997 111.062 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.38 -37.66 81.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 73.299999999999997 110.89 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -86.75 155.87 20.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 61.5 110.891 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 12.2 p30 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.261 -0.876 . . . . 64.200000000000003 110.898 179.974 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.755 0.312 . . . . 64.400000000000006 110.898 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 mp -60.28 -43.81 95.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 54.0 110.833 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -60.02 -38.09 81.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 72.5 110.984 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.02 -36.27 48.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 71.400000000000006 111.025 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.44 -47.91 84.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.047 -0.524 . . . . 70.099999999999994 111.056 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.5 mt -63.57 -53.55 43.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 63.100000000000001 111.04 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.65 -31.14 67.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.200000000000003 110.973 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.9 mt -72.09 -50.9 24.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 54.100000000000001 110.897 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.421 HG23 ' CZ ' ' A' ' 63' ' ' TYR . 11.9 p -66.99 -34.72 71.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 64.400000000000006 111.119 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.0 m -58.52 -55.21 38.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 74.299999999999997 110.86 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -31.48 69.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 74.400000000000006 110.852 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.417 ' HB1' ' CE1' ' A' ' 32' ' ' TYR . . . -67.71 -34.06 76.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 75.200000000000003 110.985 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.17 -36.59 77.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 75.299999999999997 110.717 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -68.62 -44.42 74.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.393 -0.367 . . . . 72.5 110.738 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.03 -51.92 67.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 71.299999999999997 110.959 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -57.93 -30.36 65.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 62.399999999999999 111.105 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -83.5 -27.96 29.03 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-N 116.477 -0.329 . . . . 74.400000000000006 110.806 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.33 29.11 3.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.789 0.328 . . . . 72.299999999999997 111.289 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mttm 58.14 70.35 0.66 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.266 0.555 . . . . 75.299999999999997 111.168 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -152.56 74.27 1.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.04 -0.527 . . . . 72.200000000000003 110.818 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.42 ' CD1' HD23 ' A' ' 70' ' ' LEU . 11.4 m-85 -69.1 -31.7 70.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 74.299999999999997 110.769 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -72.32 -38.17 68.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.861 0.362 . . . . 74.299999999999997 110.78 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -83.02 -30.33 28.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 62.0 110.957 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.403 ' O ' ' CD2' ' A' ' 32' ' ' TYR . . . -72.85 -43.71 62.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 72.099999999999994 111.159 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 tt -59.64 -54.18 49.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 72.099999999999994 110.897 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -36.55 73.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 71.299999999999997 111.016 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mt -76.53 -31.53 57.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 74.200000000000003 110.884 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.418 ' CE2' ' HD3' ' A' ' 66' ' ' ARG . 8.6 m-85 -69.85 -48.41 58.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 75.400000000000006 110.969 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -59.54 -45.84 90.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 72.400000000000006 110.949 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -60.49 -37.62 81.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 71.299999999999997 110.936 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.45 -57.36 7.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 74.200000000000003 111.072 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.63 -32.7 49.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 63.399999999999999 111.105 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -60.21 -45.41 93.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 64.299999999999997 110.907 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -68.86 -31.53 70.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 74.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -68.1 -42.2 80.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 73.200000000000003 110.903 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.6 mt -60.17 -47.74 84.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 65.400000000000006 110.906 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -63.41 -31.31 72.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 72.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.37 -33.65 74.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 72.099999999999994 111.132 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.2 mt -72.22 -53.09 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 70.299999999999997 111.085 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -60.05 -31.36 69.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 74.400000000000006 110.929 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -79.32 -50.85 10.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 75.099999999999994 110.862 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -142.0 158.58 43.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 64.0 110.857 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.24 130.14 0.29 Allowed 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 116.077 -0.51 . . . . 72.400000000000006 111.012 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -60.34 -74.58 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.068 -0.514 . . . . 73.200000000000003 110.886 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.9 t -146.24 -171.81 3.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 72.099999999999994 110.752 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -64.71 -39.17 93.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 74.400000000000006 110.9 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -60.54 -52.36 65.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.294 -0.412 . . . . 75.299999999999997 110.998 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.98 -43.17 99.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 73.200000000000003 111.178 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -60.09 -31.46 70.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.308 -0.405 . . . . 65.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.98 -43.34 65.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 74.099999999999994 110.936 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.5 p -60.32 -46.98 87.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 74.299999999999997 110.702 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 34.4 mt -69.78 -37.64 74.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 116.24 -0.436 . . . . 65.299999999999997 110.848 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -69.16 -47.51 64.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 62.5 110.884 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.73 -36.32 67.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 75.200000000000003 111.013 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.403 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 44.2 mttt -72.2 -30.72 65.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.053 -0.521 . . . . 72.400000000000006 110.764 179.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 81.3 m -74.79 -37.85 62.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 64.299999999999997 110.841 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.96 -45.2 99.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 74.099999999999994 111.069 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -70.48 -35.8 73.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 62.100000000000001 110.85 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.421 ' CZ ' HG23 ' A' ' 13' ' ' VAL . 3.0 m-85 -66.91 -34.55 78.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 74.299999999999997 110.827 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.24 -31.34 64.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 74.400000000000006 110.903 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -62.91 -50.37 71.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 63.399999999999999 110.889 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.418 ' HD3' ' CE2' ' A' ' 32' ' ' TYR . 4.7 ptp85 -64.9 -34.02 77.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 63.399999999999999 110.896 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.18 -53.06 62.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 73.299999999999997 111.089 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -59.87 -31.21 69.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 73.400000000000006 110.892 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -68.78 -41.41 78.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 51.399999999999999 110.878 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.42 HD23 ' CD1' ' A' ' 25' ' ' TYR . 64.6 mt -64.21 -31.09 72.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 74.200000000000003 110.897 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -69.83 -39.98 76.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 75.0 110.82 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -66.3 -31.26 71.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 72.200000000000003 110.897 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -65.25 -56.15 14.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 72.5 110.879 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.0 mt -65.13 -31.52 72.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.308 -0.406 . . . . 73.400000000000006 111.037 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 116.116 -0.493 . . . . 75.299999999999997 111.144 -179.914 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.794 0.33 . . . . 74.0 110.89 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -72.83 -29.11 62.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 62.399999999999999 110.984 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -58.3 -60.41 3.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 74.099999999999994 110.977 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.46 -29.93 68.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 37.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 22.7 t -62.41 -41.44 98.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 53.200000000000003 110.891 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -68.92 -43.11 75.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 73.099999999999994 110.934 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 24.9 mtt-85 -60.27 -32.39 71.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 74.400000000000006 110.908 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.4 tt -69.22 -42.85 75.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 71.099999999999994 110.869 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.83 -47.58 85.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 64.5 111.129 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.08 -35.91 80.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 73.5 111.091 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 24.6 tp -60.39 -34.27 73.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 74.099999999999994 110.916 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -67.46 -56.22 10.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 53.5 110.93 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 3.3 p30 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.256 -0.878 . . . . 72.200000000000003 110.901 179.982 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.828 0.347 . . . . 65.099999999999994 110.902 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.36 -43.33 96.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 75.099999999999994 110.886 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -60.38 -37.39 80.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 65.400000000000006 111.079 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -77.11 -31.67 55.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 74.099999999999994 111.141 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -63.75 -52.38 60.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 65.099999999999994 111.095 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.4 mt -63.74 -39.77 86.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 74.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.05 -37.98 81.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 53.399999999999999 111.197 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.3 mt -71.73 -37.83 70.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 74.200000000000003 110.932 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.2 t -66.97 -41.95 88.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 71.5 111.056 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 m -58.3 -50.12 74.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 74.299999999999997 110.928 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -60.39 -30.74 69.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 74.099999999999994 110.909 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.94 -34.39 57.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 75.299999999999997 111.044 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.44 -40.49 91.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 62.0 110.69 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -70.89 -44.6 65.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 75.099999999999994 110.802 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -58.72 -56.21 25.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 62.299999999999997 110.9 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -56.94 -30.24 63.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.967 -0.56 . . . . 74.099999999999994 110.881 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -85.25 -25.01 27.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.357 -0.383 . . . . 72.099999999999994 111.004 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.01 29.64 3.02 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.143 -0.481 . . . . 73.0 111.289 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt 58.99 41.53 20.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.409 . . . . 73.400000000000006 111.235 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -126.82 78.16 1.78 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.145 -0.479 . . . . 74.400000000000006 111.027 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.405 ' CD1' HD23 ' A' ' 70' ' ' LEU . 20.2 m-85 -73.85 -32.37 63.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.764 -0.653 . . . . 72.5 110.923 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -60.14 -60.0 4.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.341 -0.39 . . . . 71.099999999999994 110.878 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -64.73 -35.78 82.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 73.099999999999994 110.943 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.43 -46.75 87.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 65.400000000000006 111.1 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.401 ' CD1' ' NE2' ' A' ' 33' ' ' GLN . 3.2 tm? -61.15 -39.51 90.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 65.200000000000003 110.901 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -60.33 -51.45 69.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 72.099999999999994 110.915 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.0 mt -73.83 -31.46 63.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 75.200000000000003 110.889 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -62.36 -50.83 70.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 75.400000000000006 110.919 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.401 ' NE2' ' CD1' ' A' ' 29' ' ' LEU . 36.5 mt-30 -60.01 -50.13 74.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 75.099999999999994 110.921 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -60.3 -32.97 71.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 63.399999999999999 110.928 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.77 -58.18 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 65.0 111.13 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.66 -34.13 54.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 61.200000000000003 111.133 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.53 -49.62 76.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 72.200000000000003 110.897 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -61.81 -34.79 76.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 75.200000000000003 110.937 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.416 ' CZ ' ' HB2' ' A' ' 9' ' ' ALA . 2.3 m-85 -62.23 -51.29 68.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 75.5 110.907 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.9 mt -59.9 -40.32 88.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 74.400000000000006 110.925 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -60.7 -31.51 70.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 70.200000000000003 110.936 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.1 -31.05 62.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 60.299999999999997 111.113 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 21.8 mt -74.61 -50.94 24.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 74.299999999999997 111.108 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.1 -31.38 69.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 63.399999999999999 110.943 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -80.85 -66.35 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 75.299999999999997 110.899 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -139.68 116.08 10.6 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.151 -0.477 . . . . 71.099999999999994 110.862 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -104.58 177.13 4.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 75.200000000000003 111.217 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -105.17 -53.63 2.63 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.87 0.367 . . . . 63.100000000000001 110.957 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 m -175.55 -176.62 0.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 70.099999999999994 110.874 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.06 -46.09 90.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.973 -0.558 . . . . 73.400000000000006 110.874 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.7 tttt -60.8 -39.97 90.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.287 -0.415 . . . . 62.100000000000001 110.791 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.5 -42.99 70.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 75.099999999999994 111.207 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.6 mtmm -60.21 -31.71 70.42 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.075 -0.511 . . . . 75.200000000000003 110.948 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -73.74 -43.15 59.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 65.200000000000003 110.855 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.29 -43.53 81.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.271 -0.422 . . . . 64.299999999999997 110.946 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.4 mt -69.5 -45.09 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 74.299999999999997 110.977 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.1 ttp85 -66.82 -45.53 77.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 75.200000000000003 110.857 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.8 -33.64 66.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 75.0 111.024 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -74.2 -30.61 62.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 62.399999999999999 110.797 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 64.2 m -74.92 -34.02 62.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 73.099999999999994 110.855 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.72 -50.21 72.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 63.100000000000001 111.075 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -64.38 -31.49 72.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 71.299999999999997 110.925 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -71.07 -37.4 72.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 74.099999999999994 110.866 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.74 -46.46 90.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 75.200000000000003 110.912 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -60.72 -42.27 96.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 70.400000000000006 110.917 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.3 mtp180 -67.82 -43.51 79.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 70.400000000000006 110.857 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.8 -49.87 76.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 71.400000000000006 111.16 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -59.78 -31.07 69.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 71.5 110.887 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -33.63 73.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 74.299999999999997 110.917 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.405 HD23 ' CD1' ' A' ' 25' ' ' TYR . 74.5 mt -68.22 -54.01 20.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 54.399999999999999 110.884 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -60.35 -35.16 75.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 75.400000000000006 110.926 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -67.06 -31.61 72.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 74.400000000000006 110.89 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -71.94 -37.14 70.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 75.299999999999997 110.721 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.9 mt -85.13 -31.9 23.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.902 0.382 . . . . 71.099999999999994 110.781 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.1 ttm-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 74.400000000000006 110.872 179.993 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.82 0.343 . . . . 71.299999999999997 110.904 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.61 -30.25 68.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 64.099999999999994 110.966 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -59.04 -60.45 3.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.426 . . . . 73.099999999999994 110.953 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.19 -30.35 64.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 64.099999999999994 110.931 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 39.9 t -60.23 -49.4 77.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 70.099999999999994 110.862 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -46.26 87.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.400000000000006 110.896 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -63.15 -31.38 72.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 64.200000000000003 110.899 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.17 -53.97 51.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 73.5 110.92 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.04 -31.32 69.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 70.200000000000003 111.101 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.99 -39.81 29.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 63.0 111.093 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 6.2 tp -61.84 -33.84 74.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 73.299999999999997 110.952 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.26 174.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 75.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.216 -0.897 . . . . 73.099999999999994 110.925 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.835 0.35 . . . . 74.200000000000003 110.876 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.89 -56.9 15.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 73.099999999999994 111.162 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -61.6 -45.8 92.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.415 . . . . 74.299999999999997 110.985 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -65.76 -32.11 73.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 74.400000000000006 110.69 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.83 -57.13 9.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 73.099999999999994 111.11 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.0 mt -61.62 -33.61 58.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 74.299999999999997 111.029 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -60.28 -39.29 86.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 71.099999999999994 110.904 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 mt -68.89 -37.42 78.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 71.400000000000006 110.924 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.416 HG13 ' CZ ' ' A' ' 63' ' ' TYR . 22.0 t -64.02 -50.1 78.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 75.299999999999997 111.118 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -57.77 -34.88 70.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 73.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -73.85 -27.38 61.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 73.099999999999994 111.043 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.74 -40.76 24.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.332 -0.395 . . . . 63.0 111.045 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -44.98 94.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 70.099999999999994 110.705 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -69.24 -39.22 78.63 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.192 -0.458 . . . . 63.200000000000003 110.891 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -60.65 -55.86 28.19 Favored 'General case' 0 CA--C 1.524 -0.042 0 CA-C-N 115.973 -0.558 . . . . 74.0 111.051 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -57.29 -30.21 64.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.497 -0.32 . . . . 74.400000000000006 110.935 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -83.96 -27.48 28.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.979 -0.555 . . . . 64.299999999999997 111.073 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.29 32.97 2.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.139 -0.482 . . . . 64.0 111.32 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp 58.97 71.34 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 73.099999999999994 110.959 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -160.57 78.19 0.62 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.22 -0.445 . . . . 73.299999999999997 110.996 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' A' ' 73' ' ' TYR . 51.4 m-85 -75.1 -31.35 61.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.863 -0.608 . . . . 75.200000000000003 110.861 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -66.48 -48.33 70.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 75.200000000000003 110.866 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -71.54 -43.46 66.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 64.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.75 -44.22 93.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 72.200000000000003 111.133 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.7 tt -60.26 -48.99 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 74.200000000000003 110.897 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -61.89 -50.57 71.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 72.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.2 mt -60.16 -31.5 70.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 71.200000000000003 110.903 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -68.85 -31.55 70.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 74.400000000000006 110.905 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -74.35 -49.31 23.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 73.099999999999994 110.924 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -60.5 -42.1 95.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 75.099999999999994 110.895 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.0 -51.87 67.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 75.099999999999994 111.09 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.8 t -63.23 -38.95 83.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 73.099999999999994 111.054 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -60.63 -37.47 81.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 72.299999999999997 110.899 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -73.42 -31.9 64.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 74.099999999999994 110.874 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -70.41 -46.77 63.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 74.400000000000006 110.922 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.2 mt -60.28 -38.38 83.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 73.299999999999997 110.875 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.484 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 2.8 t-80 -73.16 -31.41 64.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 74.099999999999994 110.906 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.94 -43.99 64.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 74.099999999999994 111.1 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.5 mt -77.25 -31.16 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 73.5 111.154 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -67.59 -41.93 83.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 72.099999999999994 110.853 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.484 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 6.0 m-85 -79.21 -37.2 38.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 71.200000000000003 110.938 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -150.71 128.26 11.48 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.188 -0.46 . . . . 64.299999999999997 111.032 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -129.06 143.1 50.75 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.271 -0.422 . . . . 70.099999999999994 111.134 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -68.21 -67.63 0.45 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.369 -0.378 . . . . 65.299999999999997 110.718 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.86 -177.76 6.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 64.299999999999997 110.697 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.8 -46.69 89.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 64.299999999999997 110.672 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 tttp -60.34 -52.58 64.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 62.200000000000003 110.92 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.16 -43.4 95.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 54.100000000000001 110.868 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -59.95 -49.7 76.66 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.168 -0.469 . . . . 75.400000000000006 110.732 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.04 -29.47 67.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.874 0.369 . . . . 72.299999999999997 111.03 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 t -81.1 -49.28 11.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 44.5 110.775 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 5.5 mt -60.69 -38.11 77.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.376 -0.375 . . . . 62.5 110.833 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -71.82 -37.35 70.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 72.5 110.838 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.403 ' N ' ' HG3' ' A' ' 57' ' ' ARG . . . -57.1 -41.05 78.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.958 0.409 . . . . 74.0 110.757 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.405 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 5.7 tttt -70.82 -34.55 71.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.973 -0.558 . . . . 51.100000000000001 110.494 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 76.9 m -69.82 -37.29 76.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 72.299999999999997 110.718 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.43 -45.81 97.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 71.099999999999994 110.979 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.59 -35.7 80.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 71.099999999999994 110.843 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.416 ' CZ ' HG13 ' A' ' 13' ' ' VAL . 18.9 m-85 -68.2 -33.07 73.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 74.200000000000003 110.88 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -67.66 -34.79 77.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 70.200000000000003 110.861 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.61 -41.76 83.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 73.200000000000003 110.842 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -60.09 -43.07 95.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 72.299999999999997 110.849 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.81 -50.63 73.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 73.299999999999997 111.036 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -58.69 -52.11 67.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 75.5 110.792 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.3 tttp -61.67 -30.96 71.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 74.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.6 mp -71.16 -34.66 71.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 74.400000000000006 110.843 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -63.0 -46.21 88.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 73.200000000000003 110.872 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.58 -30.83 71.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 64.099999999999994 110.976 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' A' ' 25' ' ' TYR . 29.5 t80 -60.18 -45.4 93.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 74.299999999999997 110.849 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.1 mt -84.49 -31.4 24.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.214 -0.448 . . . . 74.400000000000006 110.926 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.082 -0.508 . . . . 74.400000000000006 111.018 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.825 0.345 . . . . 75.400000000000006 110.933 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -80.37 -25.45 39.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 74.0 111.096 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -57.26 -60.4 3.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.347 -0.388 . . . . 62.200000000000003 111.091 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.47 -31.03 65.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 61.200000000000003 110.901 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 38.6 t -60.45 -48.31 82.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 70.400000000000006 110.885 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -63.6 -45.69 89.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 64.099999999999994 110.908 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 43.5 mtt-85 -63.84 -31.45 72.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 75.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.02 -54.0 51.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 74.5 110.953 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.42 -37.3 80.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 54.100000000000001 111.051 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.62 -34.39 74.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 64.299999999999997 111.132 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.6 tp -60.55 -43.24 97.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 73.299999999999997 110.85 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 15.4 mtm105 -71.3 135.37 47.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 63.200000000000003 110.88 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.206 -0.902 . . . . 53.5 110.936 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.83 0.347 . . . . 71.200000000000003 110.917 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.32 -48.57 27.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 75.5 110.878 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -60.42 -45.61 92.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 71.5 110.97 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -64.41 -31.56 72.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 73.400000000000006 110.889 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.417 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . . . -61.59 -56.79 16.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 75.400000000000006 111.112 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.1 mt -62.72 -38.57 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 71.099999999999994 111.024 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.81 -46.09 90.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 74.200000000000003 111.168 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.1 mt -61.9 -40.45 95.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 71.400000000000006 110.854 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.2 t -65.01 -44.01 96.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 71.400000000000006 111.026 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.5 m -54.93 -37.85 66.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 73.200000000000003 111.052 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -72.49 -30.18 64.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 75.200000000000003 110.878 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.411 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . . . -75.89 -42.82 48.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 54.399999999999999 111.015 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -38.23 83.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 61.399999999999999 110.599 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -72.66 -32.61 65.97 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.539 -0.3 . . . . 74.200000000000003 110.728 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -76.92 -48.56 17.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.643 0.258 . . . . 62.5 110.841 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -58.65 -30.43 67.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.561 -0.291 . . . . 74.400000000000006 110.988 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.1 -22.68 24.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 75.099999999999994 111.052 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.57 29.77 2.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.786 0.327 . . . . 53.399999999999999 111.319 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt 59.33 41.96 18.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 73.299999999999997 111.06 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -128.11 76.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.236 -0.438 . . . . 75.200000000000003 110.777 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.413 ' CD1' HD21 ' A' ' 70' ' ' LEU . 17.2 m-85 -73.12 -34.15 65.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 74.400000000000006 110.961 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -67.8 -38.24 83.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 72.5 110.863 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -82.96 -32.15 27.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 74.400000000000006 110.941 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.32 -34.31 63.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 62.5 111.117 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.93 -55.56 16.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 63.399999999999999 110.962 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.3 ppt_? -59.37 -33.21 70.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 73.0 110.963 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.0 mt -75.74 -31.39 59.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 62.299999999999997 110.965 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.411 ' CD2' ' HB3' ' A' ' 16' ' ' ALA . 2.2 m-85 -73.89 -48.56 30.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 72.5 110.93 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -59.56 -37.8 79.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 64.5 110.963 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -64.2 -43.3 95.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 74.200000000000003 110.926 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.51 -45.11 63.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 54.200000000000003 111.134 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.2 t -61.12 -37.72 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 62.200000000000003 111.106 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -40.12 94.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 71.200000000000003 110.894 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -71.05 -33.56 70.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 65.099999999999994 110.885 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.417 ' CE1' ' HB3' ' A' ' 9' ' ' ALA . 2.6 m-85 -60.43 -54.11 49.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 74.5 110.902 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 44.9 mt -60.13 -35.79 76.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 74.400000000000006 110.882 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -61.09 -31.38 71.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 72.5 110.941 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.8 -29.98 45.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 74.400000000000006 111.132 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 21.6 mt -74.11 -32.01 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 61.299999999999997 111.08 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -32.12 40.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 72.200000000000003 110.958 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -80.44 -75.01 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.299999999999997 110.892 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -130.78 123.17 28.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 74.400000000000006 110.799 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -119.81 173.86 6.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.077 -0.511 . . . . 74.099999999999994 111.323 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -90.93 -48.79 6.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.988 -0.551 . . . . 75.400000000000006 110.914 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.28 179.6 1.21 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.317 -0.402 . . . . 52.200000000000003 111.231 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.5 -51.41 69.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.953 0.406 . . . . 75.099999999999994 110.865 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.6 tttm -59.99 -52.31 65.94 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.066 -0.516 . . . . 74.200000000000003 110.699 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.83 -44.12 94.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 44.399999999999999 111.036 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -59.73 -42.57 93.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.01 -0.541 . . . . 71.299999999999997 110.868 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.68 -31.59 70.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.382 -0.372 . . . . 64.5 110.882 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.5 t -69.7 -35.69 75.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.198 -0.456 . . . . 73.299999999999997 110.862 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.9 mt -73.07 -30.92 33.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 71.400000000000006 111.058 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.5 mpp_? -72.32 -50.08 29.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 74.400000000000006 110.868 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.04 -45.34 75.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 71.299999999999997 111.137 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.5 pttt -64.93 -32.49 74.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 62.200000000000003 110.758 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 52.9 m -73.4 -43.46 60.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 71.299999999999997 110.913 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.4 t -58.63 -37.87 67.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 62.299999999999997 111.12 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -70.78 -36.26 72.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 71.299999999999997 110.895 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -67.16 -32.04 72.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 72.400000000000006 110.923 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.81 -35.74 67.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 74.200000000000003 110.875 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.41 -54.37 46.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 54.100000000000001 110.849 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -43.65 95.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 72.5 110.856 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.19 -45.67 87.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 70.099999999999994 111.072 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -56.89 -35.39 68.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 73.099999999999994 110.746 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -78.59 -28.92 45.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.037 -0.528 . . . . 65.299999999999997 111.032 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.413 HD21 ' CD1' ' A' ' 25' ' ' TYR . 31.8 mt -66.01 -49.04 69.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.352 -0.386 . . . . 74.200000000000003 110.82 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -65.31 -43.22 91.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 73.400000000000006 110.897 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.48 -31.2 71.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 75.099999999999994 110.892 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -64.71 -53.31 49.32 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 121.109 0.48 . . . . 75.299999999999997 111.242 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.0 mt -66.76 -31.53 72.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.963 -0.562 . . . . 75.200000000000003 110.942 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 . . . . . 0 C--N 1.322 -0.589 0 CA-C-O 121.034 0.445 . . . . 71.299999999999997 111.1 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.786 0.327 . . . . 73.200000000000003 110.882 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -74.7 -41.08 60.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 62.5 110.912 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -57.01 10.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 63.399999999999999 110.907 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 pp -60.16 -36.89 78.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 70.099999999999994 110.903 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 6.0 m -63.21 -40.0 96.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 73.200000000000003 110.911 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 55.1 ttt-85 -60.47 -41.64 94.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 61.299999999999997 110.907 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -40.38 90.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 64.299999999999997 110.906 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.32 -44.44 95.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 75.099999999999994 110.914 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.99 93.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 54.5 111.114 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.34 -31.11 70.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 64.5 111.131 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 8.2 tp -60.25 -58.02 10.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 75.099999999999994 110.892 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.03 -31.71 72.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 74.400000000000006 110.886 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.22 -0.895 . . . . 74.400000000000006 110.936 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.8 m . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.865 0.364 . . . . 64.200000000000003 110.838 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.9 -46.1 86.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 75.400000000000006 110.923 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -48.32 82.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 37.399999999999999 110.946 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -64.77 -31.65 72.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 72.400000000000006 110.721 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.1 -56.45 12.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 74.299999999999997 111.161 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 mt -59.23 -35.31 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 73.299999999999997 111.058 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -59.35 -42.39 91.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 75.099999999999994 110.864 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.2 mt -64.63 -36.42 84.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.502 . . . . 63.299999999999997 110.872 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.442 ' CG1' ' CZ ' ' A' ' 63' ' ' TYR . 25.8 t -66.09 -48.82 80.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 64.299999999999997 111.06 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.78 -26.8 66.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 75.200000000000003 111.004 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -76.15 -32.46 59.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 74.099999999999994 110.838 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.417 ' HB2' ' CE1' ' A' ' 32' ' ' TYR . . . -76.27 -44.44 37.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 62.5 111.14 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.9 t -60.08 -46.62 88.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 73.5 110.935 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -59.75 -45.35 92.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 75.0 110.707 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.86 -30.28 70.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 73.299999999999997 110.67 179.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.84 -34.56 77.58 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.865 -0.607 . . . . 74.299999999999997 110.932 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.04 -24.19 23.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 70.400000000000006 111.244 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.65 25.34 4.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.156 -0.475 . . . . 65.200000000000003 111.334 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.8 mttt 54.71 68.17 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.482 -0.326 . . . . 70.099999999999994 111.066 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -143.07 60.94 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.913 0.387 . . . . 71.5 110.858 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.5 ' CE2' ' CE1' ' A' ' 73' ' ' TYR . 13.8 m-85 -64.64 -31.48 72.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 72.299999999999997 110.854 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -71.28 -36.29 71.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.779 0.324 . . . . 74.400000000000006 110.853 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -83.0 -45.97 13.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 72.299999999999997 110.956 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.79 -30.49 65.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 60.399999999999999 111.218 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.8 tt -63.26 -56.37 17.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.413 . . . . 73.299999999999997 110.905 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -59.31 -34.58 72.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 72.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.5 mt -72.59 -31.18 64.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 65.5 110.897 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.417 ' CE1' ' HB2' ' A' ' 16' ' ' ALA . 6.8 m-85 -73.08 -45.47 57.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 74.400000000000006 110.913 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -59.5 -38.87 82.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 74.099999999999994 110.93 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 -66.88 -44.37 81.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 74.200000000000003 110.904 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.11 -57.48 12.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 75.0 111.101 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.6 t -59.6 -41.15 84.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 63.0 111.091 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -60.25 -50.29 74.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 74.200000000000003 110.88 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -63.45 -31.44 72.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 64.200000000000003 110.877 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -69.28 -43.03 74.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 75.099999999999994 110.916 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.7 mt -60.2 -35.59 75.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 75.400000000000006 110.891 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -74.36 -31.25 62.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 74.400000000000006 110.893 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.75 -30.84 67.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 63.100000000000001 111.15 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.0 mt -71.86 -54.96 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 71.099999999999994 111.061 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -31.52 70.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 72.200000000000003 110.926 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -76.94 -74.47 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 73.400000000000006 110.902 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -134.83 121.62 20.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 73.299999999999997 110.666 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -118.32 150.82 38.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.101 -0.499 . . . . 75.0 111.008 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -68.14 -66.75 0.53 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.048 -0.524 . . . . 75.400000000000006 111.038 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 p -160.75 -177.52 6.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.082 -0.508 . . . . 65.200000000000003 110.982 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -64.77 -47.98 76.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.951 0.405 . . . . 71.200000000000003 111.039 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -60.52 -45.73 92.73 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.991 -0.55 . . . . 72.299999999999997 111.039 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.76 97.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 74.299999999999997 111.127 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -60.39 -31.5 70.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.969 -0.56 . . . . 73.299999999999997 110.744 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -71.41 -39.17 71.27 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.278 -0.419 . . . . 73.299999999999997 110.884 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.4 t -71.03 -46.2 62.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 64.299999999999997 110.798 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.5 mt -62.37 -31.29 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 73.400000000000006 111.007 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -65.63 -51.06 62.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 72.400000000000006 110.878 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.04 -32.97 66.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 71.200000000000003 111.103 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -71.45 -30.77 66.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 110.847 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 70.8 m -79.52 -46.26 17.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 74.400000000000006 110.898 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.8 t -58.86 -31.57 45.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 74.299999999999997 111.131 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -78.18 -41.55 34.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 74.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.442 ' CZ ' ' CG1' ' A' ' 13' ' ' VAL . 9.4 m-85 -71.17 -31.73 68.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 74.200000000000003 110.889 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 tt -70.34 -40.79 73.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 62.299999999999997 110.866 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -65.74 -34.4 78.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 75.299999999999997 110.912 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -67.79 -39.7 84.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 74.299999999999997 110.885 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.64 -50.51 73.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 54.100000000000001 111.128 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -60.21 -31.8 70.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 72.200000000000003 110.905 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 57.3 tttt -66.97 -40.84 87.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 72.5 110.93 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.1 mt -64.82 -31.89 73.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 71.200000000000003 110.904 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -66.16 -44.21 84.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 73.400000000000006 110.885 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.63 -31.27 66.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 75.099999999999994 110.875 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.5 ' CE1' ' CE2' ' A' ' 25' ' ' TYR . 12.8 t80 -60.31 -42.33 95.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.971 -0.559 . . . . 74.299999999999997 110.907 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.5 mt -83.74 -40.6 18.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.154 -0.475 . . . . 75.099999999999994 110.985 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 63.299999999999997 111.178 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.769 0.318 . . . . 75.400000000000006 110.879 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -69.88 -30.09 67.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 73.299999999999997 110.984 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -59.06 -60.36 4.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 74.099999999999994 110.955 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.85 -29.68 64.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 72.099999999999994 110.954 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 38.2 t -60.98 -41.81 97.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 74.400000000000006 110.926 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 26.1 mtm180 -70.83 -43.0 69.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 75.200000000000003 110.877 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -60.59 -31.95 71.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 75.200000000000003 110.904 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.4 tt -70.3 -43.31 70.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 62.399999999999999 110.864 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.07 -31.3 69.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 73.200000000000003 111.074 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.67 -34.47 53.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 64.299999999999997 111.078 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 3.4 tp -64.34 -46.33 83.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 74.200000000000003 110.916 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.74 -31.72 52.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 72.400000000000006 110.864 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 38.1 t30 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.213 -0.898 . . . . 71.299999999999997 110.874 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.5 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.804 0.335 . . . . 73.400000000000006 110.871 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.49 -47.93 37.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 74.099999999999994 110.905 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -60.34 -39.89 88.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.221 -0.445 . . . . 75.400000000000006 110.783 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -72.17 -37.85 69.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 63.200000000000003 110.882 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 39' ' ' PHE . . . -63.14 -47.13 84.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 73.200000000000003 111.082 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.6 mt -63.55 -49.43 82.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 60.100000000000001 111.079 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.47 -31.2 69.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 70.400000000000006 110.927 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.5 mt -71.1 -51.1 27.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 70.400000000000006 110.894 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.417 HG23 ' CZ ' ' A' ' 63' ' ' TYR . 11.8 p -66.75 -34.75 72.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 74.299999999999997 111.14 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 73.6 m -59.2 -55.54 33.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 70.299999999999997 110.893 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 mttp -60.69 -31.31 70.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 72.5 110.887 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.07 -41.27 86.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 72.0 111.106 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.21 -43.11 96.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 62.0 110.724 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -62.15 -39.43 92.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.938 0.399 . . . . 72.400000000000006 110.844 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.89 -51.72 68.8 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.244 -0.435 . . . . 74.299999999999997 110.846 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -57.74 -29.93 65.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 54.299999999999997 111.075 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -78.99 -26.25 43.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.389 -0.368 . . . . 73.400000000000006 110.871 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.05 29.46 3.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.75 0.31 . . . . 74.299999999999997 111.257 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 mttt 59.01 36.68 24.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 73.299999999999997 111.062 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -121.55 77.52 1.35 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.22 -0.446 . . . . 72.200000000000003 110.933 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.457 ' CE2' ' CE1' ' A' ' 73' ' ' TYR . 24.7 m-85 -74.7 -31.29 61.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.019 -0.537 . . . . 73.200000000000003 110.92 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -62.64 -52.03 64.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.394 -0.366 . . . . 74.099999999999994 110.808 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -71.31 -41.1 70.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 72.099999999999994 110.892 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.01 -46.26 90.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 54.399999999999999 111.106 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -59.71 -46.38 89.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 61.100000000000001 110.848 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.0 mmt-85 -60.1 -48.9 79.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 72.400000000000006 110.955 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.2 mt -70.71 -31.29 68.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 64.099999999999994 110.974 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -59.88 -60.81 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 74.5 110.915 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -59.62 -31.21 69.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 75.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -67.95 -40.82 83.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 74.299999999999997 110.938 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.69 -37.06 79.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 71.299999999999997 111.102 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.9 t -73.78 -35.49 43.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 73.099999999999994 111.131 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -60.04 -44.1 94.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 75.099999999999994 110.907 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -69.7 -34.81 74.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 72.400000000000006 110.903 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 9' ' ' ALA . 2.9 m-85 -60.3 -50.62 72.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 73.299999999999997 110.869 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.5 mt -59.14 -40.86 86.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 72.200000000000003 110.928 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -60.19 -31.17 69.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 71.5 110.874 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.95 -33.66 66.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 75.099999999999994 111.134 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.7 mt -71.37 -51.48 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 61.5 111.115 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.411 ' HE3' ' CD1' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -60.1 -35.89 76.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 75.400000000000006 110.936 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.411 ' CD1' ' HE3' ' A' ' 44' ' ' LYS . 4.5 m-85 -75.39 -31.58 60.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 74.200000000000003 110.864 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -165.53 154.9 12.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 55.100000000000001 110.858 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.13 132.72 5.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.131 -0.486 . . . . 65.299999999999997 111.289 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -63.55 -74.72 0.09 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 74.200000000000003 110.672 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.9 m -144.67 -178.23 5.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.295 -0.411 . . . . 72.299999999999997 111.107 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -64.97 -37.97 89.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.341 -0.391 . . . . 72.099999999999994 110.899 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -60.11 -52.63 64.51 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.262 -0.426 . . . . 75.200000000000003 110.71 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.84 -42.81 94.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 74.099999999999994 111.219 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -60.53 -33.01 72.02 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 121.024 0.44 . . . . 73.299999999999997 111.075 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -64.89 -43.41 93.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.092 -0.504 . . . . 71.299999999999997 110.929 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.0 t -60.4 -37.8 81.96 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.964 -0.562 . . . . 73.299999999999997 111.172 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.402 HG22 HD13 ' A' ' 56' ' ' ILE . 32.3 mt -71.42 -35.86 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 116.34 -0.391 . . . . 75.5 110.991 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -61.83 -55.38 30.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 74.200000000000003 110.857 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.84 -30.73 69.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 61.0 111.088 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 6.5 ttmt -74.76 -31.64 61.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 70.200000000000003 110.751 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 99.8 m -80.62 -45.68 16.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 71.200000000000003 110.897 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.4 p -58.47 -38.33 69.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 74.5 111.102 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -72.35 -40.57 67.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 64.400000000000006 110.836 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.417 ' CZ ' HG23 ' A' ' 13' ' ' VAL . 2.9 m-85 -64.81 -32.28 73.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 63.399999999999999 110.857 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.9 mp -72.11 -36.02 69.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 75.299999999999997 110.799 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.44 -52.44 65.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 55.399999999999999 110.892 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -41.33 97.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 63.399999999999999 110.847 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.53 -45.68 84.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 55.100000000000001 111.059 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -58.97 -37.14 76.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 74.099999999999994 110.754 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.29 -30.4 54.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.067 -0.515 . . . . 73.200000000000003 111.065 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.9 mt -69.21 -53.03 22.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 73.5 110.865 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -60.89 -37.92 83.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 62.399999999999999 110.902 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -73.66 -30.42 62.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 71.200000000000003 110.91 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.457 ' CE1' ' CE2' ' A' ' 25' ' ' TYR . 46.3 t80 -59.87 -45.37 92.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.099 -0.5 . . . . 74.5 110.893 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 mt -76.19 -31.56 58.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.114 -0.494 . . . . 74.200000000000003 110.994 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 116.219 -0.446 . . . . 65.400000000000006 110.88 -179.933 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.831 0.348 . . . . 61.100000000000001 110.911 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -67.22 -30.26 70.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 75.099999999999994 110.923 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -59.35 -60.43 3.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 72.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.93 -30.84 64.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 64.200000000000003 110.937 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 40.1 t -60.21 -47.29 86.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 75.200000000000003 110.872 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 11.7 mtt85 -67.42 -39.14 85.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 63.200000000000003 110.884 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -66.19 -36.99 84.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 75.200000000000003 110.851 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 7.8 tt -60.92 -45.56 94.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 74.200000000000003 110.889 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.2 -53.53 56.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 70.200000000000003 111.095 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.87 -30.14 68.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 73.299999999999997 111.106 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 5.5 tp -59.54 -50.88 72.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 71.299999999999997 110.965 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 4.7 ptt-85 -79.65 -30.93 41.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 71.299999999999997 110.91 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.254 -0.879 . . . . 63.200000000000003 110.889 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.9 m . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 120.8 0.333 . . . . 75.099999999999994 110.827 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.26 -44.57 75.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 61.299999999999997 110.878 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -30.98 70.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 72.200000000000003 111.201 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -81.9 -38.35 25.44 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.134 -0.485 . . . . 63.299999999999997 111.158 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.419 ' HB3' ' CE1' ' A' ' 39' ' ' PHE . . . -59.9 -40.14 87.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 73.400000000000006 111.117 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.0 mt -77.46 -43.67 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 44.5 111.135 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -59.55 -31.59 69.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 75.400000000000006 110.912 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.5 mt -71.82 -56.13 6.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 74.299999999999997 110.918 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.417 HG23 ' CE2' ' A' ' 63' ' ' TYR . 11.7 p -59.78 -35.12 58.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 73.5 111.098 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.7 m -60.19 -47.1 87.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 75.0 110.821 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.7 mttt -65.85 -33.68 76.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 64.299999999999997 110.881 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.408 ' HB3' ' CZ ' ' A' ' 32' ' ' TYR . . . -66.98 -31.3 71.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 70.200000000000003 111.052 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.74 -50.65 48.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 71.200000000000003 110.779 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -61.5 -32.98 73.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 73.5 111.074 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -54.75 42.01 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 115.894 -0.594 . . . . 70.400000000000006 111.001 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -57.8 -30.55 65.78 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.241 -0.436 . . . . 72.5 110.713 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -76.59 -27.47 55.82 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.053 -0.521 . . . . 75.0 110.937 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.57 29.39 3.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.44 -0.345 . . . . 70.299999999999997 111.098 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt 58.85 38.27 24.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.419 . . . . 73.400000000000006 110.929 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -122.26 79.2 1.57 Allowed 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.221 -0.445 . . . . 72.299999999999997 110.874 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.492 ' CE2' ' CE1' ' A' ' 73' ' ' TYR . 26.4 m-85 -77.47 -35.36 53.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.413 -0.358 . . . . 75.0 110.744 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -67.7 -33.11 74.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.828 0.347 . . . . 74.299999999999997 110.862 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -83.01 -34.81 26.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 73.299999999999997 110.851 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.56 -38.03 86.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 64.400000000000006 111.132 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.2 tt -60.23 -38.14 82.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 62.100000000000001 110.906 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -65.0 -54.95 22.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 64.5 110.869 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.26 -31.83 70.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 73.400000000000006 110.904 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.408 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 5.4 m-85 -70.44 -31.52 68.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 65.099999999999994 110.875 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -72.2 -54.09 10.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 72.5 110.91 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -60.24 -40.4 90.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 61.100000000000001 110.937 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.67 -53.94 52.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 75.299999999999997 111.113 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.5 t -63.54 -36.49 76.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 71.299999999999997 111.047 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -60.42 -48.2 82.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 74.400000000000006 110.867 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -65.52 -31.71 72.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 74.200000000000003 110.899 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.419 ' CE1' ' HB3' ' A' ' 9' ' ' ALA . 2.8 m-85 -62.77 -50.77 69.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 72.0 110.896 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.1 mt -60.34 -33.14 71.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 75.299999999999997 110.875 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -78.18 -31.75 49.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 74.299999999999997 110.913 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.18 -40.81 74.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 64.200000000000003 111.034 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.5 mt -77.56 -31.19 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 71.5 111.091 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.7 tttp -72.01 -34.34 68.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 70.299999999999997 110.872 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -83.93 -33.12 24.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 74.099999999999994 110.9 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -157.01 137.67 13.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 71.299999999999997 110.779 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.48 174.21 10.84 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.151 -0.477 . . . . 74.5 111.126 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -104.28 -65.55 1.02 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 71.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.1 -176.71 4.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 53.399999999999999 110.775 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -48.89 78.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.927 -0.579 . . . . 73.0 110.834 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -60.16 -52.94 63.2 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.119 -0.491 . . . . 65.099999999999994 110.832 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.8 -45.09 93.41 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.181 0.515 . . . . 72.400000000000006 111.125 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -60.52 -31.7 70.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 72.5 110.926 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -63.46 -47.4 82.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.248 -0.433 . . . . 72.400000000000006 110.922 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.3 m -60.49 -42.03 95.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 65.299999999999997 111.112 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.8 mt -71.43 -33.67 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-O 120.816 0.341 . . . . 74.099999999999994 110.938 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -68.37 -51.75 40.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 75.299999999999997 110.876 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.95 -34.99 68.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 74.099999999999994 111.064 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -70.19 -30.74 67.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 65.200000000000003 110.848 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 79.3 m -78.85 -46.27 18.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 63.5 110.922 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.8 t -58.52 -31.03 42.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 72.0 111.143 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -77.13 -41.06 43.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 55.399999999999999 110.87 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.417 ' CE2' HG23 ' A' ' 13' ' ' VAL . 10.5 m-85 -68.91 -34.97 76.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 73.200000000000003 110.864 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.48 -42.24 83.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 73.099999999999994 110.899 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -61.04 -39.03 88.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 110.839 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.9 mtp85 -66.1 -33.74 76.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 62.5 110.935 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.27 -51.66 66.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 63.100000000000001 111.098 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -60.17 -31.52 70.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 61.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -67.21 -39.33 86.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 63.200000000000003 110.917 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.1 mt -67.13 -34.93 78.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 65.099999999999994 110.903 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -63.57 -44.74 93.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 65.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -64.6 -31.48 72.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 63.5 110.877 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.492 ' CE1' ' CE2' ' A' ' 25' ' ' TYR . 38.7 t80 -60.27 -52.52 64.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 74.299999999999997 110.991 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.1 mt -73.74 -40.34 63.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.041 -0.527 . . . . 72.0 110.954 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 116.216 -0.447 . . . . 71.299999999999997 110.804 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.826 0.346 . . . . 72.299999999999997 110.914 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -70.05 -30.18 67.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 63.299999999999997 110.975 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -59.08 -60.37 3.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 71.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.59 -29.85 65.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 73.200000000000003 110.949 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 44.6 t -64.82 -39.8 94.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 71.400000000000006 110.892 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -68.74 -45.75 70.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 74.299999999999997 110.899 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -60.32 -31.63 70.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 71.099999999999994 110.912 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 2.0 tt -66.3 -48.02 71.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 62.299999999999997 110.905 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.98 -35.03 74.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 73.099999999999994 111.071 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.86 -31.72 61.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 73.299999999999997 111.079 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 5.7 tp -68.6 -58.04 4.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 65.400000000000006 110.913 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -31.5 72.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 73.400000000000006 110.896 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.221 -0.895 . . . . 75.400000000000006 110.901 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.451 -0.379 0 CA-C-O 120.778 0.323 . . . . 72.200000000000003 110.842 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.15 -53.09 61.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 61.299999999999997 110.85 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -60.01 -43.78 95.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 72.200000000000003 110.755 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.423 ' O ' HD12 ' A' ' 12' ' ' LEU . 23.5 mttt -62.38 -34.67 77.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 63.299999999999997 111.039 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.515 ' HB1' ' CE1' ' A' ' 39' ' ' PHE . . . -69.13 -41.94 76.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 73.400000000000006 111.051 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.3 mt -77.5 -46.03 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 44.399999999999999 111.105 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.82 -33.08 71.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 75.400000000000006 110.897 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.583 HD22 ' HB3' ' A' ' 34' ' ' HIS . 12.1 mt -69.66 -53.82 16.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 63.5 110.884 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.608 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 11.9 p -62.89 -34.96 69.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 73.5 111.092 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.3 m -60.24 -41.42 93.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 75.0 110.841 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -70.54 -31.58 68.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 64.299999999999997 110.852 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.632 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -68.92 -40.85 78.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 70.200000000000003 111.061 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.44 -49.56 76.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 71.200000000000003 110.811 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -60.07 -38.3 82.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 73.299999999999997 110.996 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -62.65 -48.62 78.54 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.959 -0.564 . . . . 70.400000000000006 110.817 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -57.2 -30.07 64.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 72.5 110.971 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.6 mttp -77.27 -26.38 52.37 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.407 -0.36 . . . . 75.0 111.045 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.15 28.79 3.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.085 -0.507 . . . . 70.299999999999997 111.164 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt 58.05 30.9 19.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.132 0.491 . . . . 73.400000000000006 111.129 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.07 80.72 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 72.299999999999997 110.949 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.638 ' HB2' HD11 ' A' ' 74' ' ' LEU . 14.8 m-85 -71.16 -38.22 72.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 75.0 110.828 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.717 ' HG2' HD13 ' A' ' 74' ' ' LEU . 32.2 mt-10 -61.98 -60.17 4.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.878 0.37 . . . . 62.200000000000003 110.868 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.491 ' O ' HD23 ' A' ' 31' ' ' LEU . 1.9 mt-10 -62.34 -30.65 71.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 73.299999999999997 110.947 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.84 -30.87 64.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 55.399999999999999 111.155 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.524 HD13 ' C ' ' A' ' 29' ' ' LEU . 3.2 tm? -72.98 -49.03 31.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 62.100000000000001 110.966 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -59.09 -36.84 75.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 64.5 110.938 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.632 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 2.9 mm? -75.43 -31.5 60.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 73.400000000000006 110.843 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.418 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.1 m-85 -71.24 -54.79 9.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 65.099999999999994 110.906 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -59.67 -31.78 69.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 72.5 110.886 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.583 ' HB3' HD22 ' A' ' 12' ' ' LEU . 11.9 m80 -73.91 -35.83 64.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 45.100000000000001 110.879 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.49 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -72.51 -55.13 7.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 75.299999999999997 111.092 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.6 t -59.69 -41.66 86.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 52.299999999999997 111.118 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.695 ' HB2' HD21 ' B' ' 122' ' ' LEU . 5.6 tm-20 -60.01 -39.88 87.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 74.400000000000006 110.926 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -73.97 -31.52 63.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 74.200000000000003 110.887 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.515 ' CE1' ' HB1' ' A' ' 9' ' ' ALA . 3.7 m-85 -66.87 -47.93 70.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 62.399999999999999 110.876 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.901 ' HA ' HD12 ' A' ' 43' ' ' ILE . 78.1 mt -59.93 -44.86 94.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 75.299999999999997 110.922 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -60.36 -31.5 70.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 74.299999999999997 110.916 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.22 -34.29 68.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 61.100000000000001 111.163 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.901 HD12 ' HA ' ' A' ' 40' ' ' LEU . 9.5 mt -69.51 -49.37 60.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 71.5 111.06 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.23 -32.51 71.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 70.299999999999997 110.889 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -80.48 -53.98 6.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 73.400000000000006 110.924 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -137.92 150.03 46.72 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.204 -0.453 . . . . 71.299999999999997 111.07 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.68 171.5 18.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 74.5 111.102 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 64.8 m170 -103.21 -54.23 2.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.306 -0.406 . . . . 71.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.4 m -173.5 -176.04 1.23 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.173 -0.467 . . . . 53.399999999999999 110.94 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.24 -39.88 91.94 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.006 -0.543 . . . . 73.0 110.965 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -60.24 -59.18 5.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.186 -0.461 . . . . 65.099999999999994 110.749 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.14 -43.74 95.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 72.400000000000006 111.211 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -60.16 -31.43 70.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.44 . . . . 72.5 110.97 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -68.1 -46.77 70.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 72.400000000000006 110.884 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.8 m -60.54 -38.31 84.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.277 -0.42 . . . . 65.299999999999997 110.611 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.0 mt -74.54 -31.43 27.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.062 -0.517 . . . . 74.099999999999994 111.064 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.905 ' O ' HG23 ' A' ' 61' ' ' VAL . 22.9 mtt180 -71.59 -48.67 46.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 75.299999999999997 110.882 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.05 -39.85 83.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 74.099999999999994 111.085 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -69.02 -31.33 70.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 65.200000000000003 110.845 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 68.2 m -78.35 -44.61 24.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 55.299999999999997 110.886 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.7 t -58.7 -38.43 71.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 72.0 111.114 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -71.99 -38.33 69.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 55.399999999999999 110.867 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.608 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 4.5 m-85 -67.54 -34.31 76.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 73.200000000000003 110.893 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.456 HD22 ' HB2' ' B' ' 118' ' ' LEU . 15.0 tp -66.89 -41.7 86.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 73.099999999999994 110.856 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.27 -42.2 94.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 74.400000000000006 110.882 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.0 mtp85 -64.4 -32.46 74.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 62.5 110.842 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.642 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -62.42 -55.16 30.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 61.200000000000003 111.13 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -57.75 -30.31 65.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 61.0 110.961 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -71.72 -30.38 65.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 63.200000000000003 110.921 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.642 HD12 ' HA ' ' A' ' 67' ' ' ALA . 5.8 mt -77.63 -50.61 12.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 65.099999999999994 110.895 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -60.42 -32.03 70.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 65.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -77.77 -31.52 52.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 63.5 110.905 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -60.33 -43.91 95.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 70.299999999999997 110.867 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.717 HD13 ' HG2' ' A' ' 26' ' ' GLU . 2.1 mt -84.66 -40.87 16.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.129 0.49 . . . . 72.0 111.064 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 . . . . . 0 CA--C 1.521 -0.169 0 CA-C-N 115.971 -0.559 . . . . 71.299999999999997 111.264 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 115' ' ' GLU . . . . . 0.612 ' HA ' HD21 ' B' ' 118' ' ' LEU . 2.9 tt0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.872 0.368 . . . . 72.299999999999997 110.884 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.36 -30.32 67.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 63.299999999999997 110.947 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -59.27 -60.39 3.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 71.0 110.961 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.87 HD22 HG22 ' A' ' 61' ' ' VAL . 1.0 OUTLIER -72.24 -29.52 64.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 71.299999999999997 110.94 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 36.7 t -64.86 -35.05 79.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 71.400000000000006 110.93 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.63 -50.37 13.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 74.299999999999997 110.888 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -60.71 -31.9 71.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 71.099999999999994 110.938 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.695 HD21 ' HB2' ' A' ' 37' ' ' GLU . 8.9 tt -69.04 -45.13 71.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 62.299999999999997 110.84 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.85 -31.19 69.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 73.099999999999994 111.096 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.33 -33.65 63.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 73.299999999999997 111.097 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.423 HD21 HD21 ' A' ' 29' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 65.299999999999997 110.958 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.843 0.354 . . . . 72.099999999999994 110.93 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.6 -48.46 77.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 73.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -60.36 -32.26 71.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 63.399999999999999 110.901 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -82.85 -35.2 26.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 74.299999999999997 110.69 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.647 ' HB1' ' CE1' ' A' ' 39' ' ' PHE . . . -60.16 -39.83 87.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 74.099999999999994 111.09 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.6 mt -77.65 -44.16 29.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 74.400000000000006 111.097 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -59.98 -31.27 69.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 72.5 110.941 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.714 HD22 ' HB2' ' A' ' 34' ' ' HIS . 13.6 mt -71.74 -55.74 7.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 63.5 110.917 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.512 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 11.9 p -59.75 -37.76 72.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 72.400000000000006 111.127 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 91.1 m -60.33 -52.22 66.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 60.0 110.831 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.702 ' HB3' HD13 ' A' ' 31' ' ' LEU . 10.9 mttp -61.35 -32.69 72.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 74.400000000000006 110.837 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.418 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -68.11 -39.29 82.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 35.399999999999999 111.106 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.34 -43.38 96.49 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.188 -0.46 . . . . 75.299999999999997 110.775 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -61.91 -40.09 94.28 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.619 -0.264 . . . . 55.0 110.561 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -51.36 70.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.954 0.407 . . . . 75.400000000000006 110.897 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -57.21 -30.3 64.45 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.082 -0.508 . . . . 75.299999999999997 111.117 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -79.61 -26.94 41.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.015 0.436 . . . . 74.400000000000006 111.213 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.54 29.56 3.25 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.69 -0.686 . . . . 54.299999999999997 111.092 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.0 mttm 60.17 39.49 19.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 64.299999999999997 110.717 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -122.2 77.33 1.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.392 -0.367 . . . . 75.5 110.989 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.489 ' CD1' HD22 ' A' ' 70' ' ' LEU . 28.2 m-85 -71.09 -46.12 62.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.861 -0.608 . . . . 73.200000000000003 110.837 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -62.26 -45.74 91.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 74.200000000000003 110.934 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -64.1 -45.34 89.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 75.099999999999994 110.899 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.81 -40.97 90.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 42.100000000000001 111.075 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.723 ' O ' HD13 ' A' ' 29' ' ' LEU . 2.3 tm? -60.19 -38.48 83.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 74.400000000000006 110.892 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.1 mtt-85 -61.26 -53.18 60.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 74.200000000000003 110.92 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.702 HD13 ' HB3' ' A' ' 15' ' ' LYS . 3.8 mt -70.25 -31.89 69.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 74.200000000000003 110.868 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.619 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.2 m-85 -63.28 -46.45 86.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 52.399999999999999 110.878 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -60.31 -49.68 76.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 71.5 110.956 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.714 ' HB2' HD22 ' A' ' 12' ' ' LEU . 16.3 m-70 -60.29 -35.87 76.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 62.200000000000003 110.929 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.655 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -68.2 -52.38 35.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 23.0 111.101 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 32' ' ' TYR . 27.8 t -63.42 -40.61 89.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 72.200000000000003 111.075 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -60.46 -53.64 55.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 61.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -60.27 -31.56 70.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 64.200000000000003 110.922 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.647 ' CE1' ' HB1' ' A' ' 9' ' ' ALA . 4.8 m-85 -62.1 -52.55 63.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 74.200000000000003 110.902 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.668 ' HA ' HD12 ' A' ' 43' ' ' ILE . 41.0 mt -60.3 -31.49 70.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 71.400000000000006 110.941 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -66.5 -35.3 79.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 60.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.54 -29.75 63.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 72.5 111.154 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.668 HD12 ' HA ' ' A' ' 40' ' ' LEU . 21.6 mt -73.91 -31.91 32.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 73.400000000000006 111.138 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.5 pttt -85.2 -41.88 15.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 75.400000000000006 110.926 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -69.97 -74.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 74.200000000000003 110.898 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -128.51 107.63 9.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 71.5 110.725 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.451 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -115.83 139.2 50.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.131 -0.486 . . . . 53.0 111.355 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -60.48 -74.51 0.08 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.042 -0.526 . . . . 71.400000000000006 110.755 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.9 m -153.94 -177.41 6.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 62.299999999999997 110.945 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -59.83 -36.52 76.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.979 0.418 . . . . 51.5 111.165 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -64.77 -47.67 77.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.986 -0.552 . . . . 74.299999999999997 110.809 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.37 -34.74 68.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 71.0 111.238 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.616 ' HG2' HG23 ' A' ' 43' ' ' ILE . 38.2 mtmt -66.95 -31.55 72.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 75.299999999999997 110.967 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -76.11 -39.78 54.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 74.5 110.906 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.4 m -60.26 -40.87 91.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.07 -0.514 . . . . 63.399999999999999 110.903 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.2 mt -75.46 -38.49 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 116.368 -0.378 . . . . 64.200000000000003 110.966 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.694 ' O ' HG23 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -60.51 -56.24 23.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 75.099999999999994 110.891 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.25 -39.7 76.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 65.400000000000006 111.077 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -68.88 -30.32 68.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 43.399999999999999 110.829 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 57.4 m -74.73 -40.62 61.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 74.5 110.867 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.6 t -58.74 -43.65 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 72.099999999999994 111.105 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.93 -35.44 76.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 64.299999999999997 110.896 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.512 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 5.8 m-85 -68.34 -33.43 74.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 72.400000000000006 110.881 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.534 HD13 ' HB2' ' B' ' 118' ' ' LEU . 0.6 OUTLIER -67.4 -41.45 84.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 72.5 110.86 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.69 -43.76 97.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 75.200000000000003 110.869 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.3 mmm-85 -63.62 -33.06 74.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 71.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.618 ' HB1' HD21 ' A' ' 29' ' ' LEU . . . -60.12 -53.97 51.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 72.200000000000003 111.092 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -59.4 -31.11 68.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 64.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.1 tttm -67.58 -31.38 71.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 71.200000000000003 110.901 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.489 HD22 ' CD1' ' A' ' 25' ' ' TYR . 74.8 mt -78.86 -48.56 14.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 60.299999999999997 110.85 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -65.63 -33.15 75.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 64.200000000000003 110.815 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -78.25 -31.18 49.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 71.400000000000006 110.911 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.485 ' CE2' ' CE2' ' A' ' 25' ' ' TYR . 84.5 t80 -60.18 -62.06 2.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.069 -0.514 . . . . 64.0 110.729 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.454 HD11 ' HB2' ' A' ' 25' ' ' TYR . 35.6 mt -65.65 -41.08 92.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.384 -0.371 . . . . 74.099999999999994 110.859 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 74.5 111.22 179.787 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 115' ' ' GLU . . . . . 0.624 ' HA ' HD21 ' B' ' 118' ' ' LEU . 1.3 tt0 . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.823 0.344 . . . . 71.200000000000003 110.904 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.7 -29.99 67.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 72.299999999999997 110.947 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -58.89 -60.39 3.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 74.200000000000003 110.988 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.69 HD22 HG22 ' A' ' 61' ' ' VAL . 1.0 OUTLIER -71.9 -29.6 64.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 73.299999999999997 110.971 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 40.7 t -61.07 -45.97 92.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 63.200000000000003 110.885 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -69.23 -40.96 77.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 75.400000000000006 110.914 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -60.39 -42.0 94.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 71.299999999999997 110.886 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.42 -45.46 93.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 63.200000000000003 110.925 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.03 -36.44 77.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 75.0 111.071 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.05 -32.54 59.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 73.299999999999997 111.144 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.45 HD21 ' HB1' ' A' ' 67' ' ' ALA . 21.4 tp . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 72.400000000000006 110.893 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 120.795 0.331 . . . . 70.400000000000006 110.817 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.31 -44.21 92.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 72.099999999999994 110.851 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -60.12 -31.39 70.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 43.399999999999999 110.959 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.562 ' O ' HD12 ' A' ' 12' ' ' LEU . 10.1 mmtt -77.96 -32.21 51.32 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.14 -0.482 . . . . 75.200000000000003 111.165 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.29 -37.69 77.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.046 -0.524 . . . . 53.299999999999997 111.099 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.7 mt -77.45 -47.49 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 53.5 111.129 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -60.0 -31.27 69.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 73.099999999999994 110.903 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.626 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 20.3 mt -73.11 -54.93 7.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 64.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.494 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 11.9 p -60.35 -38.21 76.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 63.100000000000001 111.129 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.9 m -59.32 -51.59 69.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 73.5 110.9 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -61.61 -33.7 74.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 75.400000000000006 110.869 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.26 -32.37 73.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 74.5 111.112 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.29 -49.93 65.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 74.400000000000006 110.93 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -59.94 -31.56 69.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 74.400000000000006 110.857 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.557 ' HG3' HD12 ' A' ' 31' ' ' LEU . 18.1 mm-40 -62.26 -54.12 45.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.293 -0.412 . . . . 74.400000000000006 110.887 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -57.17 -30.12 64.22 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.983 -0.553 . . . . 73.0 111.041 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.99 -26.85 48.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.531 -0.304 . . . . 65.099999999999994 110.99 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.11 28.87 3.37 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.116 -0.493 . . . . 44.0 111.307 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? 58.93 38.18 24.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.082 0.467 . . . . 70.299999999999997 111.039 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -123.0 80.46 1.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 75.400000000000006 111.05 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.623 ' CD1' HD22 ' A' ' 70' ' ' LEU . 31.4 m-85 -79.06 -40.51 31.09 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.063 -0.517 . . . . 74.5 110.928 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.61 -35.47 79.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.928 -0.578 . . . . 72.299999999999997 110.871 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -83.02 -31.03 27.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 52.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.63 -41.07 76.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 52.100000000000001 111.118 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 67' ' ' ALA . 3.2 tm? -61.27 -48.86 79.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 70.099999999999994 110.88 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -60.29 -39.41 86.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 73.299999999999997 110.913 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.557 HD12 ' HG3' ' A' ' 19' ' ' GLU . 16.6 mt -74.09 -36.35 64.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 73.299999999999997 110.902 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.444 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.5 m-85 -67.13 -42.06 85.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 71.5 110.921 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.454 ' CD ' HD23 ' B' ' 125' ' ' LEU . 12.7 mt-30 -60.15 -50.21 74.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 73.299999999999997 110.912 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.427 ' C ' HD13 ' A' ' 12' ' ' LEU . 14.2 m80 -62.42 -31.54 72.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 74.200000000000003 110.919 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.626 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -68.37 -59.48 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 74.200000000000003 111.098 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.5 t -59.69 -32.66 49.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 75.0 111.117 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -60.37 -43.46 96.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 63.399999999999999 110.911 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -70.3 -31.68 69.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 71.299999999999997 110.913 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -63.0 -51.87 65.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 72.400000000000006 110.894 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.718 ' HA ' HD12 ' A' ' 43' ' ' ILE . 63.1 mt -59.97 -37.5 79.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 74.400000000000006 110.939 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -69.57 -31.49 69.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 51.5 110.86 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.28 -31.35 60.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 51.100000000000001 111.126 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.788 HD11 HG21 ' A' ' 56' ' ' ILE . 6.0 mt -76.27 -45.26 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 74.5 111.061 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -60.24 -42.79 96.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 75.200000000000003 110.912 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -71.9 -56.68 5.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 72.099999999999994 110.898 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -137.16 179.03 6.63 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.233 -0.439 . . . . 71.5 111.111 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.17 179.41 1.55 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.403 -0.362 . . . . 63.200000000000003 110.976 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -106.63 -67.55 0.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.843 -0.617 . . . . 72.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -152.81 174.65 13.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 71.200000000000003 111.202 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -60.0 -43.17 95.37 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.469 -0.332 . . . . 72.400000000000006 110.945 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.6 tttm -60.65 -50.93 71.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.302 -0.408 . . . . 75.400000000000006 110.959 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.11 -44.0 96.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 41.100000000000001 111.279 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.438 ' HA ' HD12 ' A' ' 56' ' ' ILE . 3.8 mtmp? -60.18 -33.13 71.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.881 -0.6 . . . . 73.299999999999997 110.821 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -70.72 -36.69 73.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.02 0.438 . . . . 64.200000000000003 110.919 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.65 -31.6 72.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.022 -0.536 . . . . 70.200000000000003 110.733 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.788 HG21 HD11 ' A' ' 43' ' ' ILE . 22.9 mt -74.87 -37.13 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.141 -0.481 . . . . 75.5 110.973 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.637 ' O ' HG23 ' A' ' 61' ' ' VAL . 4.7 mpt_? -61.52 -56.33 21.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 64.099999999999994 110.807 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.89 -39.94 75.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 71.200000000000003 111.069 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -66.15 -31.43 72.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 64.400000000000006 110.785 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.427 ' O ' HD12 ' A' ' 64' ' ' LEU . 68.0 m -76.33 -46.97 25.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 63.0 110.915 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.728 HG22 ' HB3' ' B' ' 118' ' ' LEU . 21.6 t -58.87 -42.47 85.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 71.200000000000003 111.088 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -67.35 -35.66 79.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 63.100000000000001 110.875 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.494 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 2.4 m-85 -67.89 -40.44 83.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 62.200000000000003 110.892 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 60' ' ' CYS . 2.6 mp -60.35 -40.54 91.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 62.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.18 -51.53 69.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 73.400000000000006 110.863 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -65.13 -35.47 81.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 75.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.642 ' O ' HD23 ' A' ' 29' ' ' LEU . . . -59.31 -53.27 60.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 63.0 111.098 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -59.66 -31.16 69.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 54.5 110.902 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -66.36 -32.52 73.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 70.200000000000003 110.889 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.623 HD22 ' CD1' ' A' ' 25' ' ' TYR . 77.9 mt -73.19 -49.22 29.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 70.400000000000006 110.845 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.78 -31.37 69.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 73.400000000000006 110.904 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -82.87 -30.92 28.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 72.200000000000003 110.868 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.499 ' CE2' ' CE2' ' A' ' 25' ' ' TYR . 75.2 t80 -60.02 -36.84 78.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 73.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.5 mt -83.53 -40.08 19.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.338 -0.392 . . . . 72.099999999999994 110.919 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 116.26 -0.427 . . . . 73.400000000000006 110.76 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 115' ' ' GLU . . . . . 0.63 ' HA ' HD21 ' B' ' 118' ' ' LEU . 2.0 tm-20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.808 0.337 . . . . 72.099999999999994 110.927 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -69.96 -29.88 67.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 53.399999999999999 110.975 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -59.07 -60.4 3.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 64.400000000000006 110.978 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.728 ' HB3' HG22 ' A' ' 61' ' ' VAL . 0.9 OUTLIER -70.53 -30.29 67.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 71.5 110.947 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 37.9 m -66.24 -37.37 85.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 54.5 110.908 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 12.3 ttt85 -69.26 -43.46 73.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 72.200000000000003 110.941 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -65.5 -35.23 80.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 73.099999999999994 110.882 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.491 HD13 ' CD1' ' A' ' 40' ' ' LEU . 2.4 tt -60.24 -49.13 78.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 74.200000000000003 110.918 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.14 -37.36 79.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 43.200000000000003 111.129 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.74 -31.39 69.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 63.200000000000003 111.089 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.454 HD23 ' CD ' ' A' ' 33' ' ' GLN . 1.3 tp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 73.200000000000003 110.863 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.784 0.326 . . . . 74.200000000000003 110.89 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.17 -50.23 64.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 70.5 110.949 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.54 -41.82 95.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 73.099999999999994 110.791 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -69.67 -33.28 72.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 75.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.435 ' HB1' ' CE1' ' A' ' 39' ' ' PHE . . . -60.13 -51.03 71.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 64.299999999999997 111.098 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.5 mt -66.16 -48.02 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 65.099999999999994 111.066 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.42 -31.36 69.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 74.099999999999994 110.891 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.619 HD22 ' CB ' ' A' ' 34' ' ' HIS . 13.7 mt -71.55 -52.34 18.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 71.400000000000006 110.885 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.43 HG21 ' CE2' ' A' ' 63' ' ' TYR . 11.6 p -65.15 -34.19 68.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 42.100000000000001 111.092 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.5 m -59.8 -50.49 73.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 74.400000000000006 110.856 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.71 ' HB3' HD13 ' A' ' 31' ' ' LEU . 3.4 mmmt -60.06 -35.38 75.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 70.400000000000006 110.856 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.473 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -65.01 -39.9 94.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 71.299999999999997 111.096 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -41.2 93.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 61.299999999999997 110.736 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -63.63 -35.67 81.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.026 0.441 . . . . 74.099999999999994 110.898 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -76.24 -43.89 40.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.94 -0.573 . . . . 64.200000000000003 110.816 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.515 ' OD1' HD11 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -61.92 -31.18 71.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.303 -0.408 . . . . 71.0 111.175 179.675 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.0 -21.24 27.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 63.399999999999999 111.348 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.18 28.59 3.15 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.976 -0.556 . . . . 65.400000000000006 111.394 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.9 mttt 58.78 39.17 24.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 74.099999999999994 110.812 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -126.04 77.97 1.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.031 0.443 . . . . 74.200000000000003 110.864 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.448 ' CD1' HD22 ' A' ' 70' ' ' LEU . 20.2 m-85 -73.32 -31.45 64.01 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.951 -0.568 . . . . 73.299999999999997 110.863 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.446 ' N ' HD11 ' A' ' 74' ' ' LEU . 5.0 tt0 -62.11 -60.06 4.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.452 -0.34 . . . . 72.5 110.94 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -36.03 82.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 74.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.53 -40.72 88.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 34.5 111.147 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.703 ' CD2' ' HB1' ' A' ' 67' ' ' ALA . 3.1 tm? -64.85 -39.3 93.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 74.5 110.92 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -60.05 -54.55 44.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 74.400000000000006 110.852 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.71 HD13 ' HB3' ' A' ' 15' ' ' LYS . 9.1 mt -67.96 -32.09 72.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 74.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.612 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.6 m-85 -64.29 -44.18 92.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 62.5 110.872 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.667 ' HG2' HD23 ' B' ' 125' ' ' LEU . 10.9 mt-30 -60.16 -49.3 78.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 75.099999999999994 110.894 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.619 ' CB ' HD22 ' A' ' 12' ' ' LEU . 69.6 m-70 -60.16 -41.73 93.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 73.400000000000006 110.889 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.537 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -60.02 -51.66 68.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 63.0 111.089 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 32' ' ' TYR . 28.4 t -63.23 -41.07 91.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 55.399999999999999 111.09 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -60.91 -48.86 79.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 75.099999999999994 110.921 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -60.05 -31.47 70.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 62.200000000000003 110.887 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.435 ' CE1' ' HB1' ' A' ' 9' ' ' ALA . 2.8 m-85 -68.74 -51.21 43.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 61.399999999999999 110.923 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.449 HD11 HD12 ' B' ' 122' ' ' LEU . 22.5 mt -60.26 -32.01 70.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 72.400000000000006 110.879 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.402 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 11.5 m80 -72.23 -31.58 65.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 75.200000000000003 110.853 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.78 -30.51 67.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 73.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.4 mt -76.14 -48.69 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 74.400000000000006 111.109 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.27 -47.1 87.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 70.200000000000003 110.956 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.402 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 19.2 m-85 -68.5 -74.16 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 72.299999999999997 110.895 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -131.3 101.06 5.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 70.099999999999994 110.928 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.53 144.65 25.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 41.399999999999999 111.069 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.441 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 1.1 t-80 -61.77 -68.15 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.401 -0.363 . . . . 71.0 110.666 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.4 m -164.34 -175.98 4.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.36 -0.382 . . . . 73.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -62.57 -51.22 68.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.967 -0.56 . . . . 74.299999999999997 110.782 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -60.2 -49.95 75.59 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.858 0.361 . . . . 73.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.441 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -60.13 -36.86 78.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 45.299999999999997 110.997 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt -60.64 -31.72 70.91 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.157 -0.474 . . . . 72.200000000000003 110.801 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -72.12 -41.98 66.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.317 -0.401 . . . . 71.200000000000003 110.924 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.5 m -60.15 -44.91 94.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 42.399999999999999 110.937 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 30.1 mt -72.0 -31.29 39.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.986 -0.552 . . . . 64.299999999999997 111.004 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.883 ' O ' HG23 ' A' ' 61' ' ' VAL . 11.4 mtp180 -65.54 -52.7 50.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 75.299999999999997 110.879 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.87 -37.83 77.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 65.200000000000003 111.105 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -70.31 -32.9 70.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 73.099999999999994 110.919 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 98.3 m -79.26 -45.26 20.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 74.200000000000003 110.93 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.883 HG23 ' O ' ' A' ' 57' ' ' ARG . 27.3 t -59.25 -38.77 76.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 63.299999999999997 111.075 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.34 -39.27 65.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 75.099999999999994 110.884 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.43 ' CE2' HG21 ' A' ' 13' ' ' VAL . 2.4 m-85 -69.4 -33.02 72.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 75.200000000000003 110.867 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.8 HD13 ' HB2' ' B' ' 118' ' ' LEU . 0.6 OUTLIER -67.27 -41.46 85.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 74.200000000000003 110.896 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -60.28 -48.82 80.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 61.299999999999997 110.87 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.3 mmm-85 -59.54 -43.9 93.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 75.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.703 ' HB1' ' CD2' ' A' ' 29' ' ' LEU . . . -55.95 -45.87 78.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 70.099999999999994 111.15 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -57.99 -36.08 72.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 54.100000000000001 110.749 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.3 tttp -77.51 -29.17 52.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.086 -0.506 . . . . 74.299999999999997 111.075 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.515 HD11 ' OD1' ' A' ' 20' ' ' ASP . 30.6 mt -63.53 -52.16 62.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.319 -0.4 . . . . 71.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -32.9 73.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 72.0 110.812 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -74.38 -30.37 61.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 73.099999999999994 110.946 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -64.93 -52.63 55.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 72.099999999999994 110.89 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.446 HD11 ' N ' ' A' ' 26' ' ' GLU . 2.5 mt -59.02 -56.48 21.67 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.164 -0.471 . . . . 63.5 111.065 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.7 ptt180 . . . . . 0 C--N 1.321 -0.664 0 CA-C-N 116.371 -0.377 . . . . 74.299999999999997 110.993 -179.924 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 115' ' ' GLU . . . . . 0.609 ' HA ' HD21 ' B' ' 118' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.766 0.317 . . . . 54.200000000000003 110.883 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -69.91 -29.88 67.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 63.100000000000001 111.027 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -59.17 -60.4 3.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 65.5 111.005 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.8 ' HB2' HD13 ' A' ' 64' ' ' LEU . 1.0 OUTLIER -72.19 -29.49 64.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 73.400000000000006 110.93 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 34.2 t -60.17 -39.24 85.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.404 . . . . 61.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 11.5 mtt85 -76.1 -38.7 56.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 71.400000000000006 110.907 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -63.17 -34.38 77.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 73.200000000000003 110.903 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.549 ' HB2' HD11 ' A' ' 64' ' ' LEU . 1.2 tt -72.59 -41.23 65.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 53.200000000000003 110.919 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.22 -34.16 73.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 61.299999999999997 111.066 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -85.01 -31.21 23.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 43.399999999999999 111.071 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.667 HD23 ' HG2' ' A' ' 33' ' ' GLN . 10.3 tp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 65.299999999999997 110.898 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.2 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.832 0.348 . . . . 71.5 110.868 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.403 ' O ' HD12 ' A' ' 10' ' ' ILE . 4.0 mm? -62.18 -49.67 74.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 73.5 111.013 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -60.61 -30.68 69.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.257 -0.429 . . . . 52.399999999999999 111.261 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.1 -42.13 19.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.024 -0.535 . . . . 71.0 110.798 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.477 ' HB2' ' HB3' ' A' ' 38' ' ' TYR . . . -59.57 -30.55 68.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 64.299999999999997 111.1 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.403 HD12 ' O ' ' A' ' 6' ' ' LEU . 6.9 mt -80.28 -45.62 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 71.099999999999994 111.089 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -59.88 -31.13 69.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 72.5 110.966 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.692 HD13 HD23 ' A' ' 31' ' ' LEU . 3.5 mm? -74.41 -55.92 5.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 75.299999999999997 110.964 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.752 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 12.6 p -59.15 -38.61 75.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 70.099999999999994 111.132 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.5 m -59.52 -50.26 74.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 63.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.663 ' HB3' HD13 ' A' ' 31' ' ' LEU . 5.5 mmtt -61.65 -31.59 71.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 73.099999999999994 110.836 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.447 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -69.75 -39.31 76.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 51.299999999999997 111.098 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.24 -44.42 95.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 61.299999999999997 110.827 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -63.27 -40.97 98.88 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.478 -0.328 . . . . 73.099999999999994 110.638 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -59.21 -51.46 69.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.895 0.378 . . . . 75.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -57.43 -29.57 64.27 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.967 -0.561 . . . . 75.5 111.186 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -82.05 -26.31 33.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 71.200000000000003 111.044 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.26 29.48 3.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.371 -0.377 . . . . 65.0 111.088 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.7 mttm 58.64 36.06 24.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.096 0.474 . . . . 64.299999999999997 110.909 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -118.42 78.76 1.29 Allowed 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 120.96 0.41 . . . . 71.5 110.881 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.498 ' CE2' ' CE1' ' A' ' 73' ' ' TYR . 23.3 m-85 -76.3 -38.54 55.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.937 -0.574 . . . . 70.5 110.824 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.577 ' CA ' HD11 ' A' ' 74' ' ' LEU . 16.8 pt-20 -61.53 -38.23 86.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.839 0.352 . . . . 73.0 110.836 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.02 -37.29 24.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 71.099999999999994 110.906 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.758 ' HB3' HD23 ' A' ' 70' ' ' LEU . . . -59.75 -47.08 87.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 73.0 111.098 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 29' ' ' LEU . 1.6 tt -60.37 -39.36 86.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 60.399999999999999 110.906 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -60.09 -58.87 6.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 74.400000000000006 110.943 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.692 HD23 HD13 ' A' ' 12' ' ' LEU . 7.5 mt -62.19 -31.53 72.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 72.5 110.91 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.485 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.6 m-85 -66.6 -40.16 88.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 73.400000000000006 110.913 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -60.24 -55.38 34.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 62.399999999999999 110.914 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -60.24 -33.48 72.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 63.299999999999997 110.934 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.8 -55.42 34.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 64.400000000000006 111.086 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.5 t -59.87 -34.91 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 72.099999999999994 111.113 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -60.25 -52.49 65.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 74.099999999999994 110.917 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.477 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 9.9 m-85 -60.49 -35.82 76.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 65.299999999999997 110.895 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -66.82 -39.84 87.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 75.400000000000006 110.86 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.902 ' HA ' HD12 ' A' ' 43' ' ' ILE . 61.5 mt -60.32 -36.97 79.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 61.100000000000001 110.888 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.31 -31.47 67.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 54.100000000000001 110.955 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.82 -31.04 67.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 71.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.902 HD12 ' HA ' ' A' ' 40' ' ' LEU . 6.9 mt -72.12 -50.78 34.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 64.099999999999994 111.063 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -39.14 87.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 75.400000000000006 110.922 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -94.22 -74.61 0.53 Allowed 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.211 -0.45 . . . . 75.099999999999994 110.807 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.98 -169.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 70.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 61.09 157.94 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.206 -0.452 . . . . 54.100000000000001 111.157 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 51.3 m80 -144.56 -74.74 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.951 0.405 . . . . 72.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.3 p -62.07 153.42 29.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.032 -0.531 . . . . 73.299999999999997 110.968 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -59.79 -32.63 70.79 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.268 0.556 . . . . 63.100000000000001 111.226 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.21 -32.93 71.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.992 -0.549 . . . . 72.200000000000003 110.882 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.42 ' O ' HD12 ' A' ' 56' ' ' ILE . . . -77.41 -37.7 51.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 43.200000000000003 111.034 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.57 ' HG2' HG23 ' A' ' 43' ' ' ILE . 7.4 mtmt -75.72 -31.6 59.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 62.100000000000001 110.914 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -66.66 -49.46 66.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.297 -0.411 . . . . 73.099999999999994 110.855 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.32 -44.51 95.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 73.5 110.772 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.42 HD12 ' O ' ' A' ' 52' ' ' ALA . 18.0 mt -71.83 -42.21 69.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.085 -0.507 . . . . 70.299999999999997 111.044 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.708 ' O ' HG23 ' A' ' 61' ' ' VAL . 34.4 ttm180 -60.39 -54.45 45.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.316 -0.402 . . . . 71.200000000000003 110.874 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.85 -35.75 66.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 32.399999999999999 110.95 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 42.7 mttt -73.55 -31.52 63.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.061 -0.518 . . . . 53.299999999999997 110.69 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 92.0 m -74.79 -37.68 62.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 71.400000000000006 110.829 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 57' ' ' ARG . 30.0 t -62.46 -44.29 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 72.0 110.988 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -67.29 -34.04 76.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 72.299999999999997 110.876 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.752 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 4.8 m-85 -64.22 -37.85 88.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 73.0 110.851 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.59 HD21 ' CG ' ' B' ' 122' ' ' LEU . 11.5 mt -67.64 -38.65 84.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 74.400000000000006 110.826 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.14 -38.32 82.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 52.0 110.848 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -71.12 -31.58 67.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 75.099999999999994 110.931 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.509 ' HB1' HD21 ' B' ' 125' ' ' LEU . . . -61.52 -58.02 9.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 75.099999999999994 111.124 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.06 -31.87 70.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 73.5 110.911 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 tpmt? -60.73 -52.83 63.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 73.099999999999994 110.895 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.758 HD23 ' HB3' ' A' ' 28' ' ' ALA . 8.8 mp -62.48 -33.85 75.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 72.400000000000006 110.859 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.574 ' HB2' HD11 ' A' ' 29' ' ' LEU . 3.1 tttp -62.31 -47.98 81.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 72.400000000000006 110.863 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -61.3 -31.44 71.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 72.299999999999997 110.853 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.498 ' CE1' ' CE2' ' A' ' 25' ' ' TYR . 38.7 t80 -62.59 -44.13 97.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.044 -0.525 . . . . 72.099999999999994 111.04 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.577 HD11 ' CA ' ' A' ' 26' ' ' GLU . 4.3 mt -75.44 -47.91 25.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 63.5 110.85 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 120.975 0.417 . . . . 74.099999999999994 111.098 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 115' ' ' GLU . . . . . 0.607 ' HA ' HD21 ' B' ' 118' ' ' LEU . 2.8 mt-10 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.858 0.361 . . . . 71.200000000000003 110.944 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -71.52 -29.75 65.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 72.5 110.944 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -58.71 -60.4 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 71.400000000000006 111.008 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.607 HD21 ' HA ' ' B' ' 115' ' ' GLU . 1.1 pt? -71.5 -29.51 64.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 70.200000000000003 110.963 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 42.6 t -63.51 -37.36 87.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 71.099999999999994 110.868 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -44.16 62.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 74.400000000000006 110.938 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -60.4 -31.84 70.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 72.400000000000006 110.894 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.776 HD13 HD11 ' A' ' 40' ' ' LEU . 2.4 tt -73.81 -36.64 65.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 71.200000000000003 110.896 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.51 -42.77 99.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 75.0 111.11 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -70.47 -31.55 68.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 64.5 111.116 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.509 HD21 ' HB1' ' A' ' 67' ' ' ALA . 3.8 tp . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 72.200000000000003 110.893 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 120.811 0.339 . . . . 72.099999999999994 110.844 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.79 -43.32 99.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 73.299999999999997 110.916 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -36.03 77.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 74.299999999999997 111.045 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -79.08 -31.62 44.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 71.099999999999994 110.872 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.86 -39.22 93.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 54.100000000000001 111.069 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.4 mt -78.2 -45.5 26.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 64.5 111.122 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -59.13 -31.59 69.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 73.5 110.916 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.785 HD22 ' HB3' ' A' ' 34' ' ' HIS . 21.4 mt -72.14 -55.95 6.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 70.400000000000006 110.846 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.479 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 11.9 p -60.1 -35.05 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 71.5 111.017 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.0 m -59.96 -47.95 83.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 75.099999999999994 110.823 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -61.2 -31.83 71.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 72.099999999999994 110.859 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.593 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -69.2 -39.19 78.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 64.200000000000003 111.092 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.38 -47.27 86.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 72.200000000000003 110.757 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -60.19 -38.24 82.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 72.299999999999997 110.753 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.42 -50.15 48.48 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.923 0.392 . . . . 71.5 110.811 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -57.9 -33.68 69.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.996 -0.547 . . . . 52.0 110.94 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -88.08 -26.27 22.61 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 116.109 -0.496 . . . . 74.099999999999994 110.945 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.37 30.44 2.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.733 0.301 . . . . 51.299999999999997 111.165 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt 59.15 70.31 0.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.305 0.574 . . . . 54.399999999999999 111.061 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -158.7 73.46 0.63 Allowed 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.085 -0.507 . . . . 72.299999999999997 110.689 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -71.66 -36.2 70.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.845 0.355 . . . . 75.299999999999997 110.879 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.436 ' HB3' HD13 ' A' ' 74' ' ' LEU . 3.3 pt-20 -68.25 -36.45 79.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.97 -0.559 . . . . 65.099999999999994 110.845 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -83.05 -31.18 27.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 74.299999999999997 110.933 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.0 -30.7 68.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 63.100000000000001 111.142 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.537 HD21 ' HB1' ' A' ' 67' ' ' ALA . 2.9 tm? -70.12 -47.81 60.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 73.400000000000006 110.891 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -59.54 -37.02 77.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 74.200000000000003 110.919 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.593 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 3.4 mm? -76.01 -31.76 59.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 61.200000000000003 110.884 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.835 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.9 m-85 -72.65 -42.84 63.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 75.299999999999997 110.91 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -60.29 -51.55 69.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 74.5 110.885 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.785 ' HB3' HD22 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -62.07 -31.57 72.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 72.400000000000006 110.932 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.418 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -74.58 -49.92 19.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 73.0 111.082 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.835 HG23 ' O ' ' A' ' 32' ' ' TYR . 28.6 t -62.65 -39.43 84.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 73.299999999999997 111.059 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.25 -53.09 61.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 73.200000000000003 110.927 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -60.74 -31.55 70.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 75.200000000000003 110.907 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -63.69 -51.97 62.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 75.400000000000006 110.854 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.475 HD11 HD12 ' B' ' 122' ' ' LEU . 62.2 mt -60.04 -31.4 69.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 71.099999999999994 110.907 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -71.9 -31.11 66.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 73.400000000000006 110.869 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.09 -30.64 63.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 64.400000000000006 111.181 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.484 HD11 HG22 ' A' ' 56' ' ' ILE . 22.3 mt -76.61 -46.95 30.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 61.100000000000001 111.127 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -60.17 -44.84 94.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 74.099999999999994 110.911 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -67.17 -43.98 80.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 63.399999999999999 110.893 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -153.45 166.79 31.59 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.188 -0.46 . . . . 64.5 111.211 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.459 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -162.78 137.39 6.53 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.881 0.372 . . . . 75.200000000000003 111.379 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -60.6 -54.27 47.41 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 116.15 -0.477 . . . . 73.200000000000003 110.568 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -172.24 -177.26 1.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.884 0.373 . . . . 64.400000000000006 110.915 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -61.2 -51.35 69.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.951 -0.568 . . . . 73.200000000000003 110.645 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -60.61 -45.16 95.03 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.826 0.346 . . . . 75.400000000000006 111.045 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.68 -37.32 87.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 74.200000000000003 111.07 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.459 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 15.1 mtmt -63.83 -31.71 72.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.922 -0.581 . . . . 73.099999999999994 110.973 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.33 -44.68 71.15 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 115.914 -0.584 . . . . 74.099999999999994 110.942 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.58 -40.64 92.46 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.972 -0.558 . . . . 71.299999999999997 110.902 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.484 HG22 HD11 ' A' ' 43' ' ' ILE . 19.9 mt -71.36 -41.34 73.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 74.099999999999994 111.033 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.672 ' O ' HG23 ' A' ' 61' ' ' VAL . 35.3 ttm180 -69.08 -46.73 67.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 74.5 110.844 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.14 -36.28 68.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 65.5 111.032 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.4 mttt -72.45 -30.39 64.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.029 -0.532 . . . . 71.299999999999997 110.773 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 79.5 m -74.63 -37.08 62.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 62.5 110.846 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.81 HG22 HD22 ' B' ' 118' ' ' LEU . 21.6 t -61.85 -51.08 76.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 71.299999999999997 111.089 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -63.17 -33.52 75.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 75.200000000000003 110.894 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.479 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 2.5 m-85 -67.83 -32.36 72.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 75.299999999999997 110.877 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.5 -46.7 75.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 54.399999999999999 110.838 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.51 -35.13 75.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 65.099999999999994 110.911 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -71.06 -39.06 72.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 74.400000000000006 110.91 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.597 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -59.97 -57.86 11.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 111.058 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.489 ' HB3' HD12 ' B' ' 125' ' ' LEU . 0.5 OUTLIER -57.84 -30.71 65.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 73.0 110.955 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -69.99 -30.72 68.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 63.399999999999999 110.953 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 67' ' ' ALA . 7.4 mt -75.81 -49.44 18.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 74.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -61.25 -31.69 71.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 65.400000000000006 110.88 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -78.29 -31.6 49.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 72.200000000000003 110.878 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -60.36 -43.91 96.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.948 -0.569 . . . . 70.400000000000006 110.822 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.436 HD13 ' HB3' ' A' ' 26' ' ' GLU . 7.5 mt -78.28 -40.46 36.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.084 -0.507 . . . . 74.200000000000003 110.808 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.183 -0.462 . . . . 34.399999999999999 110.841 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.857 0.361 . . . . 65.0 110.947 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -80.03 -25.45 40.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 73.299999999999997 111.118 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.61 -60.37 3.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.376 -0.374 . . . . 64.5 111.06 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.81 HD22 HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -72.98 -31.05 64.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 72.299999999999997 110.984 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 42.6 t -61.74 -39.94 93.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 52.5 110.919 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.84 -46.33 62.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 62.5 110.92 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -60.91 -37.59 82.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 71.400000000000006 110.918 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.475 HD12 HD11 ' A' ' 40' ' ' LEU . 1.6 tt -60.35 -49.38 77.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 54.200000000000003 110.885 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.95 -31.23 69.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 72.200000000000003 111.079 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -81.31 -35.7 30.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 52.399999999999999 111.117 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.489 HD12 ' HB3' ' A' ' 68' ' ' GLU . 9.8 tt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 71.200000000000003 110.88 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.86 0.362 . . . . 72.400000000000006 110.84 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.472 ' CD1' HD11 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -60.5 -46.1 91.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 63.299999999999997 110.876 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -59.73 -32.64 70.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 71.299999999999997 111.127 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -81.34 -31.47 33.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.069 -0.514 . . . . 73.299999999999997 111.366 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.855 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -64.0 -43.54 95.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.047 -0.524 . . . . 61.399999999999999 111.076 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.472 HD11 ' CD1' ' A' ' 6' ' ' LEU . 22.5 mt -75.12 -37.86 41.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 64.400000000000006 111.069 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.27 -41.8 94.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 74.299999999999997 111.258 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.8 mt -66.85 -43.14 84.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 71.200000000000003 110.87 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 9' ' ' ALA . 32.3 t -61.73 -43.89 97.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 72.200000000000003 111.098 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.5 m -57.35 -39.97 77.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 35.100000000000001 110.989 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.552 ' HB3' HD13 ' A' ' 31' ' ' LEU . 24.0 mttt -70.96 -28.41 64.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 63.399999999999999 110.996 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.496 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -77.89 -38.2 46.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 64.400000000000006 111.099 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -49.55 77.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 74.400000000000006 110.731 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.69 -31.54 70.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 71.099999999999994 110.742 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.47 -61.46 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.947 0.403 . . . . 71.400000000000006 110.796 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.618 ' OD2' HD21 ' A' ' 70' ' ' LEU . 11.5 t0 -57.87 -30.45 65.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.966 -0.561 . . . . 75.400000000000006 111.045 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -68.72 -29.71 68.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.872 0.368 . . . . 73.0 110.962 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.13 30.79 2.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.042 -0.526 . . . . 73.0 111.07 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.5 mttm 59.29 70.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.204 0.526 . . . . 74.5 110.932 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -156.02 73.49 0.82 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.139 -0.482 . . . . 75.400000000000006 110.955 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.465 ' HB3' HD22 ' A' ' 70' ' ' LEU . 9.5 m-85 -69.08 -31.17 69.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.838 -0.619 . . . . 74.200000000000003 110.917 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -57.42 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.389 -0.369 . . . . 72.200000000000003 110.875 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -61.24 -40.9 95.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 54.399999999999999 110.919 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.41 90.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 75.400000000000006 111.094 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.78 ' O ' HD13 ' A' ' 29' ' ' LEU . 2.4 tm? -60.45 -33.82 73.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 71.200000000000003 110.86 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -65.05 -58.74 5.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 73.200000000000003 110.885 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.552 HD13 ' HB3' ' A' ' 15' ' ' LYS . 5.6 mt -62.85 -33.3 74.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 72.299999999999997 110.895 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.496 ' CD2' ' HB1' ' A' ' 16' ' ' ALA . 2.3 m-85 -64.01 -41.44 97.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 74.200000000000003 110.927 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -60.1 -51.59 68.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 63.399999999999999 110.93 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -60.05 -38.07 81.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 73.299999999999997 110.902 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.418 ' HB1' HG22 ' A' ' 13' ' ' VAL . . . -59.83 -59.6 5.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 75.400000000000006 111.093 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.5 t -59.66 -37.4 70.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 65.0 111.16 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -60.17 -38.5 83.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 63.5 110.891 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -75.49 -31.46 60.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 63.200000000000003 110.894 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.473 ' O ' HD12 ' A' ' 43' ' ' ILE . 5.1 m-85 -65.04 -49.58 69.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 73.400000000000006 110.841 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.453 ' CD1' HD13 ' B' ' 122' ' ' LEU . 69.2 mt -60.36 -48.1 83.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.425 . . . . 64.400000000000006 110.862 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -60.22 -31.53 70.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 61.399999999999999 110.912 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.44 -53.47 8.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 72.400000000000006 111.092 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.566 HD11 ' CG2' ' A' ' 56' ' ' ILE . 4.6 mt -64.46 -34.07 67.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 64.299999999999997 111.068 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -72.56 -36.56 68.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 72.400000000000006 110.917 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -81.75 -31.75 31.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 72.099999999999994 110.911 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -160.28 142.07 12.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 70.400000000000006 110.683 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.2 151.61 37.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.009 -0.541 . . . . 75.099999999999994 111.184 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -70.2 -61.63 1.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 70.200000000000003 110.777 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.6 m -156.2 178.82 9.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.368 -0.378 . . . . 33.5 110.934 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.48 -48.94 79.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 73.099999999999994 110.989 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.5 tptt -60.38 -48.89 79.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.202 -0.454 . . . . 52.5 110.822 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.596 ' O ' HD12 ' A' ' 56' ' ' ILE . . . -61.08 -34.72 75.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.326 -0.397 . . . . 43.200000000000003 110.8 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -65.43 -31.95 73.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.953 -0.567 . . . . 74.200000000000003 110.718 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -72.6 -43.2 63.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.105 0.479 . . . . 75.200000000000003 110.929 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.3 m -60.44 -52.2 66.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.026 -0.534 . . . . 71.5 110.872 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.596 HD12 ' O ' ' A' ' 52' ' ' ALA . 4.5 mt -62.09 -49.51 83.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.096 -0.502 . . . . 62.0 111.069 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.672 ' O ' HG23 ' A' ' 61' ' ' VAL . 7.4 ttp180 -60.37 -41.51 93.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 75.5 110.869 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.58 -35.3 68.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 74.299999999999997 111.02 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 16.8 mttt -72.63 -31.32 65.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 74.299999999999997 110.745 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 64.0 m -73.8 -37.67 64.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 73.5 110.875 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.787 HG22 HD22 ' B' ' 118' ' ' LEU . 18.8 t -61.42 -50.8 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 63.299999999999997 111.077 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -64.07 -31.36 72.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 64.200000000000003 110.866 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 59' ' ' LYS . 2.2 m-85 -69.28 -31.74 70.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 75.200000000000003 110.925 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.4 mt -69.74 -40.82 75.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 72.400000000000006 110.905 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -60.12 -49.76 76.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 64.099999999999994 110.933 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -65.08 -34.44 78.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 74.200000000000003 110.879 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.599 ' HB1' HD21 ' A' ' 29' ' ' LEU . . . -60.61 -52.97 62.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 73.5 111.163 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -59.56 -31.12 69.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 71.200000000000003 110.929 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.12 -31.56 69.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 60.0 110.93 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.763 ' O ' HD12 ' A' ' 74' ' ' LEU . 48.9 mt -73.17 -55.02 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 72.299999999999997 110.899 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.9 tttm -58.06 -31.62 67.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 63.399999999999999 110.91 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -75.13 -30.41 60.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 75.099999999999994 110.862 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -61.94 -57.3 12.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.926 -0.579 . . . . 74.200000000000003 110.882 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.763 HD12 ' O ' ' A' ' 70' ' ' LEU . 1.7 mp -68.67 -30.7 69.44 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.1 -0.5 . . . . 72.200000000000003 110.643 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.5 ttt85 . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 116.472 -0.331 . . . . 75.0 110.944 179.833 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 115' ' ' GLU . . . . . 0.419 ' HA ' HD21 ' B' ' 118' ' ' LEU . 2.1 tt0 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.875 0.369 . . . . 63.399999999999999 110.951 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -76.52 -43.36 39.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 70.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -57.22 13.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 55.399999999999999 110.887 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.787 HD22 HG22 ' A' ' 61' ' ' VAL . 3.8 pp -60.06 -37.26 79.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 73.5 110.901 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 11.1 t -64.73 -37.68 88.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 65.299999999999997 110.895 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.57 -43.46 97.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 72.299999999999997 110.859 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -63.16 -35.13 79.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 71.299999999999997 110.898 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.453 HD13 ' CD1' ' A' ' 40' ' ' LEU . 8.8 tt -63.0 -46.31 88.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 71.099999999999994 110.9 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.02 -48.77 80.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 34.5 111.12 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.32 -31.3 70.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 62.200000000000003 111.095 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 6.8 tp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 70.299999999999997 110.917 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.875 0.369 . . . . 62.399999999999999 110.962 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.32 -47.11 80.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 70.099999999999994 110.911 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -60.78 -47.61 85.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.272 -0.422 . . . . 73.400000000000006 110.951 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -62.52 -31.84 72.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 74.099999999999994 111.1 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.772 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -65.66 -51.58 58.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 65.299999999999997 111.117 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 mt -62.59 -39.02 83.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.46 . . . . 61.399999999999999 111.072 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -59.73 -44.43 93.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 61.100000000000001 110.862 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.0 mt -66.49 -39.81 88.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 74.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 9' ' ' ALA . 32.6 t -65.94 -38.7 82.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 71.400000000000006 111.084 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.0 m -57.08 -52.96 63.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 72.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.3 mttp -62.6 -27.15 69.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 64.400000000000006 110.974 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.448 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -76.15 -37.87 57.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.405 . . . . 64.099999999999994 111.071 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.416 HG22 ' NZ ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -60.26 -42.8 96.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 52.399999999999999 110.695 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -67.69 -41.17 84.05 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 116.439 -0.346 . . . . 60.200000000000003 110.598 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.446 ' HB3' ' HB2' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -59.04 -53.94 52.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.571 -0.286 . . . . 60.299999999999997 110.909 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -58.06 -29.68 65.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.493 -0.321 . . . . 54.5 111.012 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.416 ' NZ ' HG22 ' A' ' 17' ' ' THR . 16.8 mttt -83.76 -25.4 30.54 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.446 -0.343 . . . . 44.299999999999997 111.024 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.72 28.77 3.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.331 -0.395 . . . . 71.400000000000006 111.308 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.0 mttm 58.91 38.01 24.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.331 -0.395 . . . . 71.400000000000006 111.034 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -121.24 77.73 1.35 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 60.200000000000003 110.877 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.432 ' HA ' HD23 ' A' ' 70' ' ' LEU . 32.7 m-85 -74.38 -31.99 62.58 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.19 -0.459 . . . . 72.299999999999997 110.931 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -62.54 -60.0 4.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.358 . . . . 65.400000000000006 110.893 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -64.58 -36.68 85.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 71.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.446 ' HB2' ' HB3' ' A' ' 19' ' ' GLU . . . -59.54 -48.8 80.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 74.299999999999997 111.142 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.661 ' O ' HD13 ' A' ' 29' ' ' LEU . 2.8 tm? -60.08 -40.98 91.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 64.200000000000003 110.872 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -60.03 -60.35 3.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 72.400000000000006 110.904 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.0 mt -61.16 -31.37 71.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 71.299999999999997 110.925 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.472 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.3 m-85 -66.71 -40.13 88.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 73.5 110.864 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -60.04 -54.53 44.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 73.200000000000003 110.936 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -60.37 -33.96 73.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 71.299999999999997 110.868 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.472 ' HB1' HG22 ' A' ' 13' ' ' VAL . . . -63.12 -55.77 22.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 65.0 111.103 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 32' ' ' TYR . 28.4 t -63.26 -36.68 77.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 74.299999999999997 111.04 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -60.03 -37.93 81.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 72.099999999999994 110.904 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -74.17 -33.76 63.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 72.299999999999997 110.84 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -62.19 -52.63 63.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 74.400000000000006 110.869 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.486 ' HA ' HD12 ' A' ' 43' ' ' ILE . 52.5 mt -59.67 -41.05 89.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.200000000000003 110.859 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.49 -31.47 70.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 61.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.57 -31.34 63.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 71.099999999999994 111.088 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.486 HD12 ' HA ' ' A' ' 40' ' ' LEU . 22.7 mt -75.54 -49.1 28.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 65.5 111.151 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -62.32 -31.59 72.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 52.5 110.887 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -81.45 -74.54 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 74.400000000000006 110.887 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -134.38 114.66 13.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.913 -0.585 . . . . 73.099999999999994 110.819 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.57 -175.41 2.79 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.124 0.488 . . . . 51.399999999999999 111.258 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -106.35 -65.94 1.04 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.858 0.361 . . . . 64.400000000000006 110.908 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 m -162.76 -177.61 5.64 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.062 -0.517 . . . . 63.5 111.117 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -61.96 -50.64 71.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.997 0.427 . . . . 71.0 110.908 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -60.29 -44.72 95.12 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.037 -0.529 . . . . 60.200000000000003 110.866 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.68 -45.42 78.9 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.057 -0.52 . . . . 72.400000000000006 111.234 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.604 ' HA ' HD12 ' A' ' 56' ' ' ILE . 3.2 mtmm -60.32 -33.52 72.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 65.099999999999994 110.866 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -70.65 -34.44 72.06 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.082 -0.508 . . . . 75.099999999999994 110.874 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.12 -45.25 85.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.036 0.446 . . . . 74.299999999999997 111.08 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.604 HD12 ' HA ' ' A' ' 53' ' ' LYS . 4.8 mt -63.21 -35.3 71.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 73.400000000000006 110.933 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -60.38 -51.5 69.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 73.200000000000003 110.866 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.498 ' HA ' HG12 ' A' ' 61' ' ' VAL . . . -59.76 -30.5 68.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 55.399999999999999 111.109 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt -75.28 -30.96 60.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 74.299999999999997 110.842 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 65.7 m -81.7 -44.87 16.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 70.299999999999997 110.941 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.498 HG12 ' HA ' ' A' ' 58' ' ' ALA . 12.2 p -58.63 -39.15 75.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 73.099999999999994 111.102 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.79 -41.4 65.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 73.299999999999997 110.899 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -69.4 -31.49 69.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 73.200000000000003 110.877 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.453 ' CD2' HD12 ' B' ' 122' ' ' LEU . 0.2 OUTLIER -64.47 -49.19 72.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 70.0 110.914 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -60.29 -37.6 80.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 51.100000000000001 110.874 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.678 ' O ' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -70.27 -31.68 69.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 71.5 110.841 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.54 ' HB1' HD21 ' A' ' 29' ' ' LEU . . . -63.48 -57.58 9.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 64.400000000000006 111.06 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -58.71 -31.18 68.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 75.099999999999994 110.974 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -66.1 -31.86 72.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 73.299999999999997 110.852 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.678 HD13 ' O ' ' A' ' 66' ' ' ARG . 9.0 mp -76.42 -49.43 16.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 62.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -31.45 70.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 74.299999999999997 110.924 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -78.22 -31.49 49.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 52.100000000000001 110.862 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -64.93 -40.09 94.5 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.233 -0.44 . . . . 72.299999999999997 110.898 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.6 mt -82.13 -34.56 29.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.05 0.452 . . . . 55.299999999999997 110.936 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.8 ttp85 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 115.986 -0.552 . . . . 74.099999999999994 110.89 -179.86 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 115' ' ' GLU . . . . . 0.549 ' HA ' HD21 ' B' ' 118' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.83 0.348 . . . . 71.5 110.999 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -64.49 -30.7 71.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 75.5 110.976 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -59.63 -60.46 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 52.399999999999999 110.959 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.588 HD23 ' H ' ' B' ' 118' ' ' LEU . 0.6 OUTLIER -73.6 -31.3 63.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 75.099999999999994 110.969 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 40.9 t -60.53 -37.57 81.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 63.200000000000003 110.912 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -74.24 -45.36 48.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 75.299999999999997 110.866 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -60.37 -31.89 70.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 75.299999999999997 110.875 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.453 HD12 ' CD2' ' A' ' 64' ' ' LEU . 4.9 tt -70.79 -43.6 68.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 72.400000000000006 110.924 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.97 -31.24 69.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 65.400000000000006 111.089 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -82.05 -31.29 30.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 74.400000000000006 111.067 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 8.8 tp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 71.400000000000006 110.901 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.791 0.329 . . . . 74.0 110.861 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 mp -60.85 -42.46 97.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 75.099999999999994 111.012 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -59.68 -34.53 72.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 73.099999999999994 110.699 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.563 ' O ' HD23 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -79.13 -37.84 37.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 55.200000000000003 111.06 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.521 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -60.7 -51.27 70.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.023 -0.535 . . . . 63.5 111.06 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.0 mt -68.22 -32.73 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 70.200000000000003 111.065 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -59.96 -39.52 85.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 65.099999999999994 110.845 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.683 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 4.3 mm? -69.47 -43.1 73.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 72.099999999999994 110.855 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 9' ' ' ALA . 23.9 t -59.96 -42.91 91.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 54.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.2 m -57.82 -48.59 79.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 75.299999999999997 110.899 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -63.72 -28.97 70.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 73.200000000000003 110.896 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.5 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -77.42 -34.92 54.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 74.099999999999994 110.977 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -45.36 93.74 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.19 -0.459 . . . . 74.5 110.66 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -70.34 -35.8 73.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.267 -0.424 . . . . 71.099999999999994 110.772 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.44 -49.58 58.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.077 -0.51 . . . . 63.299999999999997 110.822 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -59.46 -48.12 82.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.075 -0.511 . . . . 74.099999999999994 110.748 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.56 -23.75 67.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.469 -0.332 . . . . 63.0 111.117 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.62 28.61 3.31 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.254 -0.43 . . . . 72.5 111.267 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt 57.23 65.21 1.42 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.296 -0.411 . . . . 71.200000000000003 110.814 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -138.79 71.69 1.39 Allowed 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.127 -0.488 . . . . 74.5 110.867 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.456 ' CD1' HD22 ' A' ' 70' ' ' LEU . 12.9 m-85 -64.16 -30.51 71.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.354 -0.385 . . . . 54.299999999999997 110.908 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.476 ' N ' HD11 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -72.14 -60.25 2.33 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.382 -0.372 . . . . 72.400000000000006 110.793 -179.899 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -62.23 -44.21 97.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 73.400000000000006 110.918 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.14 -31.35 67.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 64.099999999999994 111.216 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.693 ' CD2' ' HB1' ' A' ' 67' ' ' ALA . 3.1 tm? -74.64 -46.64 36.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 73.400000000000006 110.917 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -59.54 -37.7 79.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 72.299999999999997 110.94 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.5 ' HB2' ' HB2' ' A' ' 16' ' ' ALA . 7.7 mt -74.65 -33.89 62.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 74.400000000000006 110.925 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.752 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.6 m-85 -59.88 -54.03 50.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 71.400000000000006 110.907 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.672 ' CD ' HD13 ' B' ' 125' ' ' LEU . 0.0 OUTLIER -59.71 -44.19 93.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 52.200000000000003 110.866 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -60.23 -37.78 81.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 73.099999999999994 110.88 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.683 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -71.71 -45.85 60.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 51.299999999999997 111.121 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 32' ' ' TYR . 29.5 t -62.46 -41.27 91.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 74.200000000000003 111.081 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -60.24 -41.55 93.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 74.200000000000003 110.92 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -69.08 -34.33 74.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 72.400000000000006 110.907 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.434 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 2.6 m-85 -66.54 -49.37 66.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 74.299999999999997 110.883 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.0 mt -60.04 -31.47 70.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 63.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -71.07 -31.3 67.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 74.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.54 -30.8 63.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 72.400000000000006 111.131 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.4 mt -76.11 -49.74 24.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 72.200000000000003 111.113 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -60.09 -41.94 93.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 70.099999999999994 110.883 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -71.83 -73.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 75.299999999999997 110.875 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -132.95 106.47 7.7 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.214 -0.448 . . . . 64.099999999999994 111.161 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.65 -178.95 4.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 75.099999999999994 111.085 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -101.59 -66.93 0.89 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.937 -0.574 . . . . 75.400000000000006 110.908 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 m -163.1 179.78 7.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 53.5 110.584 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.07 -50.06 75.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.972 0.415 . . . . 72.299999999999997 110.992 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.58 -43.39 97.38 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.94 -0.573 . . . . 63.5 111.035 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.613 ' O ' HD12 ' A' ' 56' ' ' ILE . . . -66.39 -38.81 88.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 74.400000000000006 110.981 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -60.17 -31.72 70.38 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.947 0.403 . . . . 73.299999999999997 111.02 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -75.79 -43.87 44.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.221 -0.445 . . . . 74.200000000000003 110.849 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.2 m -61.7 -51.55 67.92 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.168 -0.469 . . . . 50.100000000000001 110.777 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.613 HD12 ' O ' ' A' ' 52' ' ' ALA . 4.5 mt -61.64 -44.93 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.046 -0.525 . . . . 74.099999999999994 110.959 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.608 ' O ' HG23 ' A' ' 61' ' ' VAL . 52.9 ttp85 -62.22 -43.65 98.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.423 . . . . 75.0 110.866 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.89 -32.89 66.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.424 . . . . 61.0 110.98 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.401 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 4.3 tptt -73.84 -31.11 63.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 74.099999999999994 110.752 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.6 m -74.14 -34.84 64.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 72.400000000000006 110.832 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.6 t -66.61 -42.73 90.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 74.5 111.07 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.23 -35.49 80.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 74.099999999999994 110.846 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.403 ' OH ' HG11 ' A' ' 13' ' ' VAL . 9.2 m-85 -67.28 -32.4 73.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 73.200000000000003 110.86 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -38.48 78.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 74.400000000000006 110.888 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.19 -56.88 16.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 74.299999999999997 110.893 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -60.09 -46.33 89.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 72.099999999999994 110.849 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.693 ' HB1' ' CD2' ' A' ' 29' ' ' LEU . . . -58.15 -45.43 87.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 74.200000000000003 111.09 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -57.51 -31.75 66.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 74.099999999999994 110.756 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.8 tttp -84.0 -28.53 27.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 53.100000000000001 111.088 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.456 HD22 ' CD1' ' A' ' 25' ' ' TYR . 30.3 mt -66.68 -43.54 84.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.332 -0.394 . . . . 70.200000000000003 110.847 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -74.8 -42.5 57.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 75.200000000000003 110.86 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.0 -30.53 71.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 34.100000000000001 110.976 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -67.6 -53.39 28.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.02 -0.536 . . . . 64.299999999999997 110.869 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.476 HD11 ' N ' ' A' ' 26' ' ' GLU . 3.1 mt -59.58 -53.65 55.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 64.200000000000003 110.949 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 116.394 -0.366 . . . . 71.099999999999994 110.959 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 115' ' ' GLU . . . . . 0.636 ' HA ' HD21 ' B' ' 118' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.835 0.35 . . . . 71.200000000000003 110.946 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.32 -29.47 65.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 72.400000000000006 110.941 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -58.62 -60.48 3.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 72.299999999999997 111.0 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.636 HD21 ' HA ' ' B' ' 115' ' ' GLU . 1.0 OUTLIER -69.99 -29.84 67.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 62.100000000000001 111.006 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 2.8 m -66.62 -46.73 74.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 71.400000000000006 110.956 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -61.61 -44.04 97.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 73.299999999999997 110.884 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -62.69 -32.62 73.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 73.5 110.884 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.49 ' HA ' HD12 ' B' ' 125' ' ' LEU . 1.3 tt -60.73 -51.59 68.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 52.299999999999997 110.924 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.05 -35.18 74.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 65.5 111.118 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.99 -35.66 80.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 55.299999999999997 111.093 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.672 HD13 ' CD ' ' A' ' 33' ' ' GLN . 7.9 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 60.100000000000001 110.913 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.769 0.319 . . . . 63.399999999999999 110.892 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.33 -44.47 79.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 64.400000000000006 111.124 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -31.38 70.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.303 -0.408 . . . . 75.5 111.312 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -80.33 -31.74 38.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 73.5 110.81 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.88 -39.27 79.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 44.100000000000001 111.116 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.8 mt -77.65 -49.51 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 65.299999999999997 111.084 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -59.25 -31.26 68.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 75.400000000000006 110.932 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.7 mt -71.77 -52.78 15.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 74.5 110.902 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.78 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 11.6 p -64.08 -35.19 72.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 74.299999999999997 111.116 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 75.0 m -59.26 -49.26 78.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 70.200000000000003 110.886 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.648 ' HB3' HD13 ' A' ' 31' ' ' LEU . 41.0 mmtt -62.34 -31.82 72.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 71.299999999999997 110.836 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.59 -39.36 80.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 72.5 111.097 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.34 -45.57 92.98 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.143 -0.48 . . . . 62.100000000000001 110.77 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -61.61 -40.79 96.07 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.778 0.323 . . . . 63.399999999999999 110.863 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -59.17 -50.38 74.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.337 -0.392 . . . . 74.200000000000003 110.834 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.41 ' OD2' HD11 ' A' ' 70' ' ' LEU . 5.3 t0 -57.76 -30.04 65.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 75.400000000000006 111.027 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -80.03 -26.57 39.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 75.299999999999997 111.003 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.35 29.92 3.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.478 -0.328 . . . . 74.200000000000003 111.08 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt 58.25 37.2 26.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 72.299999999999997 111.214 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -120.76 78.75 1.41 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.239 -0.437 . . . . 71.400000000000006 110.979 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.583 ' O ' HD23 ' A' ' 70' ' ' LEU . 23.8 m-85 -74.59 -33.82 62.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 71.200000000000003 110.817 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.427 ' N ' HD11 ' A' ' 74' ' ' LEU . 4.8 tt0 -63.06 -49.12 75.79 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.814 0.34 . . . . 63.200000000000003 110.804 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -69.79 -42.42 73.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 52.399999999999999 110.911 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.502 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . . . -59.69 -45.48 91.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 53.200000000000003 111.129 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.575 HD23 ' O ' ' A' ' 29' ' ' LEU . 1.6 tt -60.37 -42.79 96.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 70.200000000000003 110.927 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -60.24 -57.87 10.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 74.400000000000006 110.928 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.648 HD13 ' HB3' ' A' ' 15' ' ' LYS . 18.8 mt -60.49 -31.63 70.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 65.400000000000006 110.915 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.414 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.3 m-85 -64.06 -42.57 96.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 74.099999999999994 110.896 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -60.12 -57.6 12.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 72.200000000000003 110.907 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -60.12 -33.38 72.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 75.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.423 ' HB1' ' HB ' ' A' ' 13' ' ' VAL . . . -60.73 -61.91 2.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 75.400000000000006 111.09 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.5 t -59.89 -33.82 53.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 74.5 111.113 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -60.33 -38.78 84.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 70.400000000000006 110.882 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -73.53 -32.04 64.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 73.5 110.913 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -64.57 -53.02 54.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 61.399999999999999 110.875 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.515 ' HA ' HD12 ' A' ' 43' ' ' ILE . 49.4 mt -60.0 -39.57 86.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 64.299999999999997 110.908 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -60.38 -31.58 70.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 75.400000000000006 110.895 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.03 -31.08 61.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 44.399999999999999 111.134 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' A' ' 40' ' ' LEU . 21.9 mt -75.82 -50.88 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 72.400000000000006 111.107 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -31.65 70.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 61.299999999999997 110.879 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -82.44 -74.37 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 72.400000000000006 110.926 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -134.72 111.28 9.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 70.400000000000006 110.939 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -107.52 153.17 23.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.16 0.505 . . . . 60.200000000000003 111.226 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.413 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 10.6 t60 -67.06 -65.82 0.63 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.321 -0.399 . . . . 62.399999999999999 111.034 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.7 m -163.84 -177.03 4.88 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.045 -0.525 . . . . 61.5 111.091 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -62.36 -49.67 74.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.927 0.394 . . . . 74.299999999999997 110.871 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.45 -49.75 76.33 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.119 -0.491 . . . . 70.400000000000006 111.038 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.413 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -60.14 -41.77 93.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 71.200000000000003 111.069 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -60.27 -31.39 70.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 75.200000000000003 110.832 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -68.12 -43.08 79.2 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.068 -0.514 . . . . 74.200000000000003 110.902 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.6 p -60.45 -39.71 88.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 74.299999999999997 111.012 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.1 mt -71.84 -39.3 67.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.958 -0.565 . . . . 70.400000000000006 111.105 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.815 ' O ' HG23 ' A' ' 61' ' ' VAL . 5.7 ttm180 -59.42 -56.29 23.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 73.299999999999997 110.864 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.97 -35.38 69.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 63.100000000000001 110.974 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.405 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 12.4 mmtp -74.53 -30.43 61.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 74.299999999999997 110.735 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 81.4 m -78.85 -40.3 32.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 54.200000000000003 110.849 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 57' ' ' ARG . 27.6 t -60.85 -40.79 86.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 75.400000000000006 111.037 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -72.31 -36.51 68.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 73.400000000000006 110.85 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.78 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 2.5 m-85 -64.49 -33.61 76.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 75.099999999999994 110.87 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.676 HD21 ' HG ' ' B' ' 122' ' ' LEU . 2.9 mt -72.61 -38.26 67.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 62.100000000000001 110.86 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -60.6 -36.37 78.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 71.299999999999997 110.865 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.684 ' O ' HD13 ' A' ' 70' ' ' LEU . 15.0 mmm-85 -71.5 -39.39 70.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 75.299999999999997 110.917 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.67 -49.2 78.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 70.400000000000006 111.073 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -60.13 -38.65 83.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 73.400000000000006 110.874 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.32 -33.93 76.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 63.399999999999999 110.855 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.684 HD13 ' O ' ' A' ' 66' ' ' ARG . 9.2 mp -68.46 -34.81 76.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 72.299999999999997 110.843 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -49.25 75.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 73.400000000000006 110.896 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -64.29 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 60.299999999999997 110.927 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' A' ' 25' ' ' TYR . 11.4 t80 -60.54 -43.1 97.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.862 -0.608 . . . . 54.200000000000003 110.802 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.427 HD11 ' N ' ' A' ' 26' ' ' GLU . 4.6 mt -84.43 -32.34 24.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.244 0.545 . . . . 63.299999999999997 111.032 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.004 -0.544 . . . . 73.200000000000003 110.931 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 115' ' ' GLU . . . . . 0.648 ' HA ' HD21 ' B' ' 118' ' ' LEU . 2.9 tt0 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.856 0.36 . . . . 74.299999999999997 110.894 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -71.39 -29.4 64.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 74.200000000000003 110.981 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -58.68 -60.42 3.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 61.399999999999999 110.961 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.648 HD21 ' HA ' ' B' ' 115' ' ' GLU . 0.9 OUTLIER -68.84 -30.37 68.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 54.200000000000003 110.951 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 31.0 m -60.26 -46.26 90.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 65.400000000000006 110.923 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.43 -39.43 88.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 71.400000000000006 110.903 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 19.3 mtt180 -61.34 -31.61 71.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 73.400000000000006 110.91 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.676 ' HG ' HD21 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -68.47 -51.38 44.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 70.400000000000006 110.891 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.48 -43.2 99.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 50.5 111.087 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.25 -36.65 84.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 53.100000000000001 111.125 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 9.5 tt . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 72.400000000000006 110.894 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.4 m . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.812 0.339 . . . . 63.200000000000003 110.858 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.437 HD21 ' HB1' ' A' ' 42' ' ' ALA . 3.6 mm? -67.51 -50.24 59.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 62.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 33.3 tp60 -57.33 -37.41 72.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 75.400000000000006 111.142 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.766 ' O ' HD23 ' A' ' 12' ' ' LEU . 1.1 mmpt? -67.12 -31.37 71.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 70.0 111.104 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.696 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -69.55 -30.56 68.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.013 -0.54 . . . . 73.299999999999997 111.106 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.4 mm -70.41 -48.66 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 63.5 111.106 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -59.41 -34.1 72.05 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.176 -0.465 . . . . 64.099999999999994 111.442 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.766 HD23 ' O ' ' A' ' 8' ' ' LYS . 3.5 mm? -70.2 -54.95 10.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.041 -0.527 . . . . 72.099999999999994 110.848 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.4 p -60.5 -36.55 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 61.200000000000003 111.113 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.0 m -59.93 -50.93 71.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.400000000000006 110.847 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -60.16 -31.62 70.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 71.299999999999997 110.877 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.57 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -69.79 -38.93 76.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 54.399999999999999 111.092 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.814 HG22 ' HE3' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -60.45 -40.8 92.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 71.299999999999997 110.839 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -68.92 -44.65 72.67 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-O 121.122 0.487 . . . . 75.099999999999994 110.95 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.431 ' HB3' ' HB2' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -58.87 -53.46 58.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.557 . . . . 74.400000000000006 110.808 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -57.39 -30.17 64.68 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 116.018 -0.537 . . . . 74.099999999999994 111.225 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.814 ' HE3' HG22 ' A' ' 17' ' ' THR . 14.5 mttt -83.93 -25.19 30.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 73.400000000000006 110.984 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.98 29.06 3.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.709 0.29 . . . . 42.0 111.168 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt 58.86 36.79 24.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.31 -0.404 . . . . 54.5 110.909 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 -118.9 77.98 1.24 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.94 0.4 . . . . 53.0 110.766 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.488 ' CE2' ' CE1' ' A' ' 73' ' ' TYR . 17.2 m-85 -68.77 -42.33 77.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.506 . . . . 73.299999999999997 110.905 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.24 -59.85 4.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.329 -0.396 . . . . 74.200000000000003 110.867 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -61.03 -31.67 71.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 71.400000000000006 110.919 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.431 ' HB2' ' HB3' ' A' ' 19' ' ' GLU . . . -70.31 -30.69 67.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 72.099999999999994 111.119 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.542 HD13 ' C ' ' A' ' 29' ' ' LEU . 3.3 tm? -71.19 -47.63 56.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 74.5 110.927 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.4 ptm85 -58.98 -36.17 74.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 74.400000000000006 110.913 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.57 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 3.3 mm? -74.64 -46.6 37.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 75.299999999999997 110.875 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.404 ' CD2' ' HB1' ' A' ' 16' ' ' ALA . 2.5 m-85 -60.41 -39.46 87.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 71.099999999999994 110.901 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -60.19 -56.43 21.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 62.100000000000001 110.885 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -61.11 -31.55 71.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 63.399999999999999 110.898 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.468 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -61.36 -61.82 2.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 64.099999999999994 111.151 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.429 HG11 ' CD1' ' B' ' 122' ' ' LEU . 21.5 t -59.71 -34.18 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 75.5 111.136 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -59.66 -39.57 84.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 74.099999999999994 110.903 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -72.19 -34.6 68.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 74.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.696 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 35.9 m-85 -65.52 -48.69 71.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 73.099999999999994 110.907 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.527 HD11 HD13 ' B' ' 122' ' ' LEU . 77.2 mt -59.46 -38.65 81.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 73.299999999999997 110.938 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -64.39 -31.28 72.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 72.200000000000003 110.881 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.437 ' HB1' HD21 ' A' ' 6' ' ' LEU . . . -70.64 -33.88 71.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 50.299999999999997 111.064 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.0 mt -71.89 -52.4 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 53.299999999999997 111.122 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -60.13 -31.42 70.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 72.400000000000006 110.915 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -83.28 -73.1 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 71.299999999999997 110.919 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -141.71 115.23 8.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.001 -0.545 . . . . 63.200000000000003 110.659 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.41 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -98.03 166.08 11.6 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.12 -0.491 . . . . 61.299999999999997 110.969 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -84.97 -58.06 2.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.386 -0.37 . . . . 61.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.6 p -172.45 179.02 2.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.98 -0.554 . . . . 73.099999999999994 110.695 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.96 -47.35 86.82 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.927 -0.579 . . . . 50.100000000000001 110.854 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -46.43 90.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.354 -0.384 . . . . 51.200000000000003 110.841 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.74 -44.09 74.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 54.299999999999997 110.954 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.41 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 22.8 mtmt -60.12 -31.85 70.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 75.200000000000003 110.884 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -74.36 -32.51 62.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 71.099999999999994 110.893 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.89 -33.3 73.54 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.06 -0.518 . . . . 72.099999999999994 110.832 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.4 mt -75.44 -34.98 31.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.957 -0.565 . . . . 72.299999999999997 111.113 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.684 ' O ' HG23 ' A' ' 61' ' ' VAL . 1.6 mtm180 -59.84 -58.26 9.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 75.200000000000003 110.878 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.96 -41.09 82.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 54.5 111.046 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 8.4 mttp -67.19 -30.34 70.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 74.5 110.818 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 12.9 m -74.02 -40.98 62.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 72.400000000000006 110.862 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.5 t -59.66 -38.78 77.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 71.299999999999997 111.12 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -76.36 -30.77 57.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 61.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 59' ' ' LYS . 3.4 m-85 -69.16 -52.76 24.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 72.299999999999997 110.921 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.6 pp -60.65 -36.56 78.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 65.400000000000006 110.908 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.36 -41.61 94.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 45.200000000000003 110.795 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -70.61 -31.21 68.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 72.099999999999994 110.831 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.52 ' O ' HD23 ' A' ' 29' ' ' LEU . . . -63.93 -58.06 7.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 72.299999999999997 111.109 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.41 ' N ' HD11 ' B' ' 125' ' ' LEU . 0.4 OUTLIER -58.66 -30.93 67.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 74.0 110.88 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -69.55 -31.11 69.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 72.400000000000006 110.885 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.416 HD22 ' HB3' ' A' ' 25' ' ' TYR . 64.8 mt -77.88 -46.98 19.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 63.299999999999997 110.899 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.5 tptt -60.0 -31.36 69.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 74.200000000000003 110.897 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.61 -31.45 41.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 74.099999999999994 110.959 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.488 ' CE1' ' CE2' ' A' ' 25' ' ' TYR . 36.9 t80 -60.15 -43.83 95.45 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.191 -0.458 . . . . 75.400000000000006 110.884 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.8 mt -77.55 -32.59 53.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.327 0.584 . . . . 74.299999999999997 111.139 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 115.972 -0.558 . . . . 73.099999999999994 110.899 -179.829 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 115' ' ' GLU . . . . . 0.561 ' HA ' HD21 ' B' ' 118' ' ' LEU . 1.6 pm0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.794 0.331 . . . . 64.299999999999997 110.918 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -65.31 -30.66 71.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 71.099999999999994 110.928 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -60.5 3.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.419 . . . . 72.099999999999994 110.934 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.59 HD23 ' H ' ' B' ' 118' ' ' LEU . 0.7 OUTLIER -73.44 -31.45 63.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 73.400000000000006 110.918 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 41.5 t -60.6 -42.94 97.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 72.200000000000003 110.862 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -68.48 -46.18 70.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 63.5 110.926 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 59.5 mtp85 -60.48 -39.77 88.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 74.400000000000006 110.837 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.527 HD13 HD11 ' A' ' 40' ' ' LEU . 8.4 tt -62.07 -37.69 85.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 61.299999999999997 110.868 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.83 -48.3 82.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 71.299999999999997 111.075 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.87 -30.76 70.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 71.200000000000003 111.06 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.41 HD11 ' N ' ' A' ' 68' ' ' GLU . 6.0 tt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 73.299999999999997 110.923 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.834 0.349 . . . . 70.099999999999994 110.922 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.54 -44.76 81.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 74.299999999999997 110.848 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.66 -30.66 70.04 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.21 -0.45 . . . . 63.100000000000001 111.27 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.554 ' O ' HD12 ' A' ' 12' ' ' LEU . 21.0 mmtt -84.07 -32.36 24.84 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.084 -0.507 . . . . 74.0 110.876 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.496 ' HB1' ' CE1' ' A' ' 39' ' ' PHE . . . -63.48 -37.95 89.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 64.0 111.067 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.3 mt -78.69 -48.69 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 75.099999999999994 111.08 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.75 -30.94 67.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 41.299999999999997 111.074 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.782 HD22 ' HB2' ' A' ' 34' ' ' HIS . 16.6 mt -71.78 -53.76 12.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 55.299999999999997 110.899 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.404 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 11.8 p -63.14 -34.14 65.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 65.299999999999997 111.1 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 81.0 m -58.47 -53.31 59.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 64.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -60.41 -31.87 70.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 75.5 110.83 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.524 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -66.59 -41.1 89.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 51.100000000000001 111.008 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.28 -42.72 96.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 71.400000000000006 110.691 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -64.31 -36.31 83.69 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 116.203 -0.453 . . . . 73.099999999999994 110.719 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -71.67 -46.33 59.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.266 -0.424 . . . . 64.400000000000006 110.94 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -62.27 -32.33 73.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.018 -0.537 . . . . 71.400000000000006 110.981 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.1 pttt -88.02 -25.63 23.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 74.299999999999997 111.13 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.98 29.01 3.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.474 -0.33 . . . . 70.099999999999994 111.279 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.1 mttt 56.96 70.49 0.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.302 -0.408 . . . . 74.400000000000006 111.175 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -156.11 77.3 0.94 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.101 -0.499 . . . . 74.200000000000003 110.975 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.662 ' HA ' HD23 ' A' ' 70' ' ' LEU . 9.5 m-85 -76.83 -32.73 57.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 73.099999999999994 110.907 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.66 ' HB3' HD13 ' A' ' 74' ' ' LEU . 13.0 pt-20 -65.49 -47.89 74.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.898 -0.592 . . . . 53.100000000000001 110.992 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.91 -36.33 59.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 75.200000000000003 110.866 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.45 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . . . -58.93 -42.51 89.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 62.5 111.113 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.743 ' O ' HD13 ' A' ' 29' ' ' LEU . 2.6 tm? -60.14 -36.43 77.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 61.200000000000003 110.837 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -60.24 -47.11 87.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 73.200000000000003 110.819 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 12' ' ' LEU . 4.4 mm? -67.48 -40.35 85.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 70.400000000000006 110.927 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.784 ' O ' HG23 ' A' ' 36' ' ' VAL . 4.8 m-85 -59.93 -38.6 82.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 73.200000000000003 110.931 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -61.52 -58.66 7.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 74.400000000000006 110.886 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.782 ' HB2' HD22 ' A' ' 12' ' ' LEU . 2.6 m-70 -63.16 -37.62 87.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 62.100000000000001 110.864 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.476 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -59.96 -55.0 39.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 65.400000000000006 111.089 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 32' ' ' TYR . 27.9 t -63.24 -41.2 91.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 63.100000000000001 111.094 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -60.15 -44.37 95.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 75.400000000000006 110.942 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -65.93 -31.69 72.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 72.299999999999997 110.903 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.496 ' CE1' ' HB1' ' A' ' 9' ' ' ALA . 2.6 m-85 -66.9 -51.74 51.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 73.400000000000006 110.911 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.46 ' HA ' HD12 ' A' ' 43' ' ' ILE . 47.6 mt -59.82 -39.45 85.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 52.200000000000003 110.899 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -63.09 -31.44 72.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 74.5 110.914 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.58 -31.14 64.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 74.200000000000003 111.099 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 40' ' ' LEU . 22.4 mt -75.74 -51.8 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 74.200000000000003 111.101 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -31.62 70.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 62.200000000000003 110.877 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -79.54 -41.53 27.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 72.299999999999997 110.906 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -156.58 164.67 37.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 72.200000000000003 111.057 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.51 131.12 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.314 -0.403 . . . . 61.200000000000003 111.012 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -63.43 -58.31 7.45 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.411 -0.359 . . . . 74.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.7 m -156.55 -178.68 7.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 74.400000000000006 110.526 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.62 -35.23 77.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 71.200000000000003 110.799 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.58 -46.87 86.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.391 -0.368 . . . . 71.099999999999994 110.814 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.538 ' O ' HD12 ' A' ' 56' ' ' ILE . . . -65.13 -41.89 94.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.982 -0.554 . . . . 73.400000000000006 111.169 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -60.75 -33.56 73.11 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.277 -0.42 . . . . 51.399999999999999 110.838 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.49 -43.48 60.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.306 -0.406 . . . . 62.399999999999999 110.929 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 95.0 p -60.98 -48.27 82.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 73.200000000000003 110.941 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.538 HD12 ' O ' ' A' ' 52' ' ' ALA . 4.8 mt -63.14 -36.88 77.77 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.272 0 CA-C-N 116.394 -0.366 . . . . 72.400000000000006 110.864 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.752 ' O ' HG23 ' A' ' 61' ' ' VAL . 3.5 tmt_? -60.38 -52.65 64.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.349 -0.387 . . . . 74.0 110.864 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.04 -31.38 65.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 71.200000000000003 111.003 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.403 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 20.5 mttm -77.22 -31.13 54.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 72.5 110.766 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 71.6 m -78.09 -34.67 50.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.146 -0.479 . . . . 62.100000000000001 110.784 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 57' ' ' ARG . 29.8 t -68.02 -40.11 82.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 74.400000000000006 111.02 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -72.44 -32.09 66.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 74.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.404 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 3.0 m-85 -70.8 -34.5 71.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 70.099999999999994 110.859 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.607 HD12 ' HB2' ' B' ' 118' ' ' LEU . 11.6 mt -69.65 -39.22 77.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 72.299999999999997 110.855 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -60.2 -49.24 78.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 64.200000000000003 110.891 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.498 ' O ' HD13 ' A' ' 70' ' ' LEU . 19.5 ttt85 -62.04 -32.21 72.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 55.299999999999997 110.846 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.629 ' HB1' HD21 ' A' ' 29' ' ' LEU . . . -59.4 -55.53 33.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 73.400000000000006 111.065 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -58.57 -30.93 67.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 73.0 110.97 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -69.14 -30.95 69.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 73.200000000000003 110.915 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.662 HD23 ' HA ' ' A' ' 25' ' ' TYR . 7.7 mp -80.59 -50.24 10.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 73.5 110.923 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.04 -31.55 71.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 63.200000000000003 110.924 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.59 -30.94 41.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 74.099999999999994 110.956 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -60.19 -45.49 92.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.88 -0.6 . . . . 63.399999999999999 110.57 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.66 HD13 ' HB3' ' A' ' 26' ' ' GLU . 5.5 mt -83.79 -41.53 17.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.419 -0.355 . . . . 51.399999999999999 110.848 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.321 -0.639 0 CA-C-N 116.204 -0.453 . . . . 71.299999999999997 110.896 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 115' ' ' GLU . . . . . 0.629 ' HA ' HD21 ' B' ' 118' ' ' LEU . 1.3 mp0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.89 0.376 . . . . 71.099999999999994 110.921 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -73.15 -30.04 63.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 74.299999999999997 110.959 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -60.4 3.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 54.299999999999997 110.966 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.629 HD21 ' HA ' ' B' ' 115' ' ' GLU . 1.1 pt? -70.79 -29.44 65.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 63.100000000000001 110.919 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 35.0 t -65.81 -40.14 91.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.411 . . . . 43.200000000000003 110.931 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -66.83 -46.41 75.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 74.299999999999997 110.901 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -60.3 -32.05 70.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 73.200000000000003 110.896 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.601 ' HG ' HD21 ' A' ' 64' ' ' LEU . 1.8 tt -63.54 -51.79 63.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 71.5 110.874 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.9 -44.44 94.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 43.399999999999999 111.092 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.47 -31.94 72.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 63.200000000000003 111.118 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 5.1 tp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 74.0 110.918 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 38' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.837 0.351 . . . . 73.400000000000006 110.871 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.744 HD23 HD11 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -60.31 -48.34 82.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 63.100000000000001 110.848 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -58.23 -37.69 75.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 50.200000000000003 110.807 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.7 mmtt -75.24 -30.51 60.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 72.0 111.295 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.598 ' HB2' ' HB3' ' A' ' 38' ' ' TYR . . . -64.26 -53.4 49.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.018 -0.537 . . . . 52.5 111.043 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.744 HD11 HD23 ' A' ' 6' ' ' LEU . 4.7 mt -64.08 -34.18 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 72.0 111.082 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.87 -41.22 86.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 63.100000000000001 110.891 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.855 HD23 HD23 ' A' ' 31' ' ' LEU . 3.5 mt -67.34 -40.08 85.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 63.5 110.817 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.625 HG13 ' HE1' ' A' ' 32' ' ' TYR . 23.9 t -64.95 -38.09 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 73.400000000000006 111.065 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.06 -57.85 11.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 70.299999999999997 110.953 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -58.49 -26.12 63.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 72.299999999999997 111.076 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.594 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -76.95 -37.85 54.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 71.5 111.084 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -37.36 81.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 74.400000000000006 110.733 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -74.23 -36.87 63.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.701 -0.681 . . . . 65.099999999999994 110.884 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.41 -49.84 44.74 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.833 -0.621 . . . . 74.400000000000006 110.867 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -59.03 -33.16 70.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.096 -0.502 . . . . 61.5 110.826 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 pttp -88.15 -26.34 22.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.747 0.308 . . . . 71.200000000000003 111.045 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.34 29.7 3.12 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.209 -0.451 . . . . 71.400000000000006 111.209 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.3 mttp 57.77 70.26 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.254 0.55 . . . . 72.0 111.151 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 -154.89 62.33 0.65 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.182 -0.463 . . . . 72.099999999999994 110.658 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.43 ' CE2' ' CE2' ' A' ' 73' ' ' TYR . 23.5 m-85 -64.07 -32.26 73.75 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-O 120.874 0.369 . . . . 74.099999999999994 110.975 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.407 ' N ' HD11 ' A' ' 74' ' ' LEU . 8.9 tt0 -67.45 -39.98 85.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.964 -0.562 . . . . 72.400000000000006 110.782 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.433 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.7 OUTLIER -82.96 -31.98 27.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 43.200000000000003 110.886 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.77 -43.49 68.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 55.200000000000003 111.159 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.542 ' CD2' ' HB1' ' A' ' 67' ' ' ALA . 3.3 tm? -60.46 -48.51 81.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 73.400000000000006 110.914 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -59.39 -43.12 93.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 74.400000000000006 110.95 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.855 HD23 HD23 ' A' ' 12' ' ' LEU . 8.7 mt -72.1 -42.15 66.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 60.100000000000001 110.826 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.625 ' HE1' HG13 ' A' ' 13' ' ' VAL . 3.7 m-85 -63.16 -38.64 91.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 74.5 110.93 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -59.98 -57.57 12.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 44.399999999999999 110.908 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.443 ' C ' HD13 ' A' ' 12' ' ' LEU . 2.0 m-70 -60.22 -31.57 70.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 75.099999999999994 110.916 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.58 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -60.05 -51.67 68.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 75.0 111.144 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.819 HG11 HD21 ' A' ' 64' ' ' LEU . 21.4 t -59.58 -39.68 80.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 54.299999999999997 111.121 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -60.58 -31.94 71.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 63.200000000000003 110.908 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.598 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 8.3 m-85 -77.86 -32.13 51.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 75.299999999999997 110.863 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -67.65 -53.48 27.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.595 ' HA ' HD12 ' A' ' 43' ' ' ILE . 40.8 mt -59.41 -42.23 91.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 70.099999999999994 110.922 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -61.29 -31.44 71.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 65.099999999999994 110.922 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.94 -31.13 66.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 74.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.595 HD12 ' HA ' ' A' ' 40' ' ' LEU . 20.8 mt -73.84 -48.85 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 62.399999999999999 111.105 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.48 -36.71 85.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 71.5 110.884 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -70.42 -72.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 74.200000000000003 110.871 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -131.3 109.01 10.06 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.209 -0.451 . . . . 71.099999999999994 110.938 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -107.57 166.3 10.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 72.0 111.132 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -101.81 -63.3 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 75.400000000000006 110.856 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.4 m -157.87 178.41 10.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 72.5 110.994 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -60.96 -37.27 81.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 72.099999999999994 110.841 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -54.96 31.97 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.153 -0.476 . . . . 51.100000000000001 110.864 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.94 95.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 71.5 111.194 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.5 mtmt -60.4 -31.63 70.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.082 -0.508 . . . . 53.200000000000003 110.68 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -76.42 -45.7 30.4 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.906 0.384 . . . . 65.099999999999994 110.936 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 76.2 p -60.36 -43.47 96.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.091 -0.504 . . . . 74.0 111.055 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.7 mt -67.53 -41.58 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 50.200000000000003 110.905 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.66 ' O ' HG23 ' A' ' 61' ' ' VAL . 7.9 tmm_? -66.85 -44.79 80.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 64.099999999999994 110.869 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.32 -35.73 67.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 62.200000000000003 111.02 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.62 -30.94 64.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 71.299999999999997 110.724 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.776 ' O ' HD23 ' A' ' 64' ' ' LEU . 66.9 m -73.85 -36.28 64.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 72.400000000000006 110.847 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.5 t -62.96 -49.98 81.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 54.5 111.067 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -62.82 -33.99 76.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 72.099999999999994 110.878 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -69.13 -34.61 75.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 74.299999999999997 110.856 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.819 HD21 HG11 ' A' ' 36' ' ' VAL . 3.7 mm? -63.59 -42.92 98.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 74.099999999999994 110.814 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.38 -48.78 80.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 73.299999999999997 110.907 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 -59.78 -44.03 94.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 71.200000000000003 110.883 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.542 ' HB1' ' CD2' ' A' ' 29' ' ' LEU . . . -57.67 -45.43 85.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 41.200000000000003 111.119 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.431 ' HA ' HD21 ' B' ' 125' ' ' LEU . 18.5 tt0 -57.6 -34.6 69.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 62.100000000000001 110.686 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.83 -29.76 40.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.104 -0.498 . . . . 65.0 111.06 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.5 ' HB2' HD23 ' A' ' 29' ' ' LEU . 30.7 mt -64.93 -52.77 54.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 72.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -66.57 -37.35 84.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 75.299999999999997 110.848 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -66.35 -31.06 71.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 73.200000000000003 110.84 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.43 ' CE2' ' CE2' ' A' ' 25' ' ' TYR . 79.9 t80 -66.21 -52.48 47.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.867 0.365 . . . . 73.400000000000006 110.906 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.407 HD11 ' N ' ' A' ' 26' ' ' GLU . 4.6 mt -68.15 -44.81 75.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 74.400000000000006 110.981 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.236 -0.438 . . . . 72.5 111.154 179.881 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 115' ' ' GLU . . . . . 0.614 ' HA ' HD21 ' B' ' 118' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.862 0.363 . . . . 74.5 110.914 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -69.58 -29.88 67.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 75.200000000000003 110.99 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -59.08 -60.42 3.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 74.099999999999994 111.008 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.614 HD21 ' HA ' ' B' ' 115' ' ' GLU . 1.0 OUTLIER -72.21 -29.59 64.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 73.400000000000006 110.939 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 38.9 t -60.7 -50.47 73.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 74.5 110.877 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -63.91 -41.33 97.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 73.099999999999994 110.885 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 -60.19 -40.92 91.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 75.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.45 ' O ' HD23 ' B' ' 122' ' ' LEU . 1.6 tt -62.16 -37.19 84.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 54.399999999999999 110.872 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.85 -46.18 90.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 72.400000000000006 111.103 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.37 -31.19 57.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 71.299999999999997 111.062 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.435 ' HA ' HD22 ' B' ' 125' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 73.299999999999997 110.89 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.755 0.312 . . . . 64.400000000000006 110.898 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.486 ' O ' HD12 ' A' ' 10' ' ' ILE . 3.4 mp -60.28 -43.81 95.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 42.200000000000003 110.833 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -60.02 -38.09 81.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 72.5 110.984 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.02 -36.27 48.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 71.400000000000006 111.025 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.416 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -60.44 -47.91 84.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.047 -0.524 . . . . 70.099999999999994 111.056 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.486 HD12 ' O ' ' A' ' 6' ' ' LEU . 4.5 mt -63.57 -53.55 43.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 63.100000000000001 111.04 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.65 -31.14 67.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.200000000000003 110.973 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.404 HD22 ' HB3' ' A' ' 34' ' ' HIS . 23.9 mt -72.09 -50.9 24.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 54.100000000000001 110.897 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.576 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 11.9 p -66.99 -34.72 71.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 64.400000000000006 111.119 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.0 m -58.52 -55.21 38.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 74.299999999999997 110.86 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -31.48 69.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 74.400000000000006 110.852 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.759 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -67.71 -34.06 76.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 71.0 110.985 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.17 -36.59 77.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 75.299999999999997 110.717 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -68.62 -44.42 74.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.393 -0.367 . . . . 72.5 110.738 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.03 -51.92 67.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 71.299999999999997 110.959 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.789 ' OD2' HD11 ' A' ' 70' ' ' LEU . 5.3 t70 -57.93 -30.36 65.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 62.399999999999999 111.105 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -83.5 -27.96 29.03 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-N 116.477 -0.329 . . . . 74.400000000000006 110.806 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.33 29.11 3.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.789 0.328 . . . . 71.200000000000003 111.289 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.453 ' O ' ' ND2' ' A' ' 24' ' ' ASN . 9.5 mttm 58.14 70.35 0.66 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.266 0.555 . . . . 71.299999999999997 111.168 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -152.56 74.27 1.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.04 -0.527 . . . . 72.200000000000003 110.818 179.864 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.738 ' CD1' HD22 ' A' ' 70' ' ' LEU . 11.4 m-85 -69.1 -31.7 70.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 74.299999999999997 110.769 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.503 ' HG3' HD13 ' A' ' 74' ' ' LEU . 3.8 tt0 -72.32 -38.17 68.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.861 0.362 . . . . 74.299999999999997 110.78 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -83.02 -30.33 28.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 62.0 110.957 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.403 ' O ' ' CD2' ' A' ' 32' ' ' TYR . . . -72.85 -43.71 62.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 72.099999999999994 111.159 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.595 HD11 ' HB2' ' A' ' 71' ' ' LYS . 1.6 tt -59.64 -54.18 49.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 72.099999999999994 110.897 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -36.55 73.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 71.299999999999997 111.016 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.759 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 1.9 mt -76.53 -31.53 57.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 74.200000000000003 110.884 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.439 ' CE2' ' HD3' ' A' ' 66' ' ' ARG . 8.6 m-85 -69.85 -48.41 58.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 75.200000000000003 110.969 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.456 ' OE1' HD23 ' B' ' 125' ' ' LEU . 34.6 mt-30 -59.54 -45.84 90.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 62.100000000000001 110.949 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.404 ' HB3' HD22 ' A' ' 12' ' ' LEU . 2.3 t-160 -60.49 -37.62 81.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 71.299999999999997 110.936 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.45 -57.36 7.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 35.399999999999999 111.072 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.5 t -59.63 -32.7 49.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 43.100000000000001 111.105 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -60.21 -45.41 93.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 64.299999999999997 110.907 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -68.86 -31.53 70.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 74.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.416 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 2.5 m-85 -68.1 -42.2 80.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 73.200000000000003 110.903 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.839 ' HA ' HD12 ' A' ' 43' ' ' ILE . 83.6 mt -60.17 -47.74 84.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 65.400000000000006 110.906 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -63.41 -31.31 72.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 55.299999999999997 110.876 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.37 -33.65 74.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 72.099999999999994 111.132 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.839 HD12 ' HA ' ' A' ' 40' ' ' LEU . 5.2 mt -72.22 -53.09 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 54.100000000000001 111.085 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -60.05 -31.36 69.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 65.299999999999997 110.929 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -79.32 -50.85 10.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 75.099999999999994 110.862 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -142.0 158.58 43.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 64.0 110.857 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.431 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -175.24 130.14 0.29 Allowed 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 116.077 -0.51 . . . . 54.299999999999997 111.012 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -60.34 -74.58 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.068 -0.514 . . . . 73.200000000000003 110.886 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.9 t -146.24 -171.81 3.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 72.099999999999994 110.752 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -64.71 -39.17 93.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 74.400000000000006 110.9 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -60.54 -52.36 65.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.294 -0.412 . . . . 75.299999999999997 110.998 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.98 -43.17 99.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 73.200000000000003 111.178 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.431 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 19.4 mtmm -60.09 -31.46 70.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.308 -0.405 . . . . 65.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.98 -43.34 65.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 74.0 110.936 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.5 p -60.32 -46.98 87.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 73.400000000000006 110.702 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 34.4 mt -69.78 -37.64 74.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 116.24 -0.436 . . . . 65.299999999999997 110.848 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.671 ' O ' HG23 ' A' ' 61' ' ' VAL . 10.4 ttp180 -69.16 -47.51 64.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 62.5 110.884 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.73 -36.32 67.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 75.200000000000003 111.013 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.403 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 44.2 mttt -72.2 -30.72 65.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.053 -0.521 . . . . 72.400000000000006 110.764 179.745 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 81.3 m -74.79 -37.85 62.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 64.299999999999997 110.841 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.685 HG22 HD22 ' B' ' 118' ' ' LEU . 21.6 t -61.96 -45.2 99.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 74.099999999999994 111.069 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -70.48 -35.8 73.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 62.100000000000001 110.85 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.576 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 3.0 m-85 -66.91 -34.55 78.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 74.299999999999997 110.827 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.478 HD21 ' HG ' ' B' ' 122' ' ' LEU . 0.2 OUTLIER -73.24 -31.34 64.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 74.400000000000006 110.903 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -62.91 -50.37 71.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 52.200000000000003 110.889 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.439 ' HD3' ' CE2' ' A' ' 32' ' ' TYR . 4.7 ptp85 -64.9 -34.02 77.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 63.399999999999999 110.896 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.18 -53.06 62.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 73.299999999999997 111.089 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -59.87 -31.21 69.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 73.400000000000006 110.892 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -68.78 -41.41 78.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 51.399999999999999 110.878 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.789 HD11 ' OD2' ' A' ' 20' ' ' ASP . 64.6 mt -64.21 -31.09 72.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 72.400000000000006 110.897 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.595 ' HB2' HD11 ' A' ' 29' ' ' LEU . 6.7 tttp -69.83 -39.98 76.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 75.0 110.82 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -66.3 -31.26 71.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 72.200000000000003 110.897 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -65.25 -56.15 14.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 72.5 110.879 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.503 HD13 ' HG3' ' A' ' 26' ' ' GLU . 6.0 mt -65.13 -31.52 72.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.308 -0.406 . . . . 73.400000000000006 111.037 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 116.116 -0.493 . . . . 75.299999999999997 111.144 -179.914 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 115' ' ' GLU . . . . . 0.646 ' HA ' HD21 ' B' ' 118' ' ' LEU . 4.1 tm-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.794 0.33 . . . . 74.0 110.89 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -72.83 -29.11 62.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 62.399999999999999 110.984 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -58.3 -60.41 3.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 74.099999999999994 110.977 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.685 HD22 HG22 ' A' ' 61' ' ' VAL . 1.0 OUTLIER -68.46 -29.93 68.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 35.100000000000001 110.922 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 22.7 t -62.41 -41.44 98.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 51.399999999999999 110.891 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -68.92 -43.11 75.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 73.099999999999994 110.934 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 24.9 mtt-85 -60.27 -32.39 71.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 74.400000000000006 110.908 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.545 HD13 HD11 ' A' ' 40' ' ' LEU . 1.4 tt -69.22 -42.85 75.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 71.099999999999994 110.869 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.83 -47.58 85.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 53.5 111.129 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.08 -35.91 80.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 73.5 111.091 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.456 HD23 ' OE1' ' A' ' 33' ' ' GLN . 24.6 tp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 72.299999999999997 110.916 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.828 0.347 . . . . 62.200000000000003 110.902 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.36 -43.33 96.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 75.099999999999994 110.886 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -60.38 -37.39 80.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 65.400000000000006 111.079 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -77.11 -31.67 55.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 74.099999999999994 111.141 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.743 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -63.75 -52.38 60.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 65.099999999999994 111.095 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.4 mt -63.74 -39.77 86.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 62.200000000000003 111.024 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.05 -37.98 81.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 52.100000000000001 111.197 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.738 HD22 ' HB3' ' A' ' 34' ' ' HIS . 9.3 mt -71.73 -37.83 70.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 64.200000000000003 110.932 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 9' ' ' ALA . 32.2 t -66.97 -41.95 88.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 71.5 111.056 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 m -58.3 -50.12 74.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 73.299999999999997 110.928 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.673 ' HB3' HD13 ' A' ' 31' ' ' LEU . 13.9 mmtt -60.39 -30.74 69.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 72.299999999999997 110.909 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.94 -34.39 57.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 70.200000000000003 111.044 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.44 -40.49 91.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 54.399999999999999 110.69 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -70.89 -44.6 65.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 75.099999999999994 110.802 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -58.72 -56.21 25.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 62.299999999999997 110.9 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -56.94 -30.24 63.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.967 -0.56 . . . . 74.099999999999994 110.881 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -85.25 -25.01 27.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.357 -0.383 . . . . 72.099999999999994 111.004 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.01 29.64 3.02 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.143 -0.481 . . . . 54.0 111.289 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt 58.99 41.53 20.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.409 . . . . 73.400000000000006 111.235 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -126.82 78.16 1.78 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.145 -0.479 . . . . 74.400000000000006 111.027 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.648 ' CD1' HD22 ' A' ' 70' ' ' LEU . 20.2 m-85 -73.85 -32.37 63.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.764 -0.653 . . . . 72.5 110.923 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.508 ' OE1' HD13 ' A' ' 74' ' ' LEU . 2.3 tp10 -60.14 -60.0 4.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.341 -0.39 . . . . 71.099999999999994 110.878 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -64.73 -35.78 82.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 73.099999999999994 110.943 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.477 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -59.43 -46.75 87.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 65.400000000000006 111.1 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.698 HD11 ' OE1' ' A' ' 33' ' ' GLN . 3.2 tm? -61.15 -39.51 90.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 65.099999999999994 110.901 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -60.33 -51.45 69.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 71.200000000000003 110.915 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.673 HD13 ' HB3' ' A' ' 15' ' ' LYS . 8.0 mt -73.83 -31.46 63.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 75.200000000000003 110.889 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.477 ' CE2' ' HB1' ' A' ' 28' ' ' ALA . 2.1 m-85 -62.36 -50.83 70.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 74.200000000000003 110.919 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.698 ' OE1' HD11 ' A' ' 29' ' ' LEU . 11.6 mt-30 -60.01 -50.13 74.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 52.399999999999999 110.921 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.738 ' HB3' HD22 ' A' ' 12' ' ' LEU . 1.5 t-160 -60.3 -32.97 71.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 63.399999999999999 110.928 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.471 ' HB1' HG22 ' A' ' 13' ' ' VAL . . . -65.77 -58.18 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 63.200000000000003 111.13 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.66 -34.13 54.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 61.200000000000003 111.133 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.53 -49.62 76.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 72.200000000000003 110.897 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -61.81 -34.79 76.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 75.200000000000003 110.937 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -62.23 -51.29 68.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 72.200000000000003 110.907 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.581 ' HA ' HD12 ' A' ' 43' ' ' ILE . 61.9 mt -59.9 -40.32 88.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 74.400000000000006 110.925 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -60.7 -31.51 70.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 70.200000000000003 110.936 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.1 -31.05 62.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 60.299999999999997 111.113 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 40' ' ' LEU . 21.8 mt -74.61 -50.94 24.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 64.200000000000003 111.108 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.1 -31.38 69.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 63.399999999999999 110.943 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -80.85 -66.35 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 75.299999999999997 110.899 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -139.68 116.08 10.6 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.151 -0.477 . . . . 71.099999999999994 110.862 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -104.58 177.13 4.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 75.200000000000003 111.217 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -105.17 -53.63 2.63 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.87 0.367 . . . . 63.100000000000001 110.957 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 m -175.55 -176.62 0.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 33.100000000000001 110.874 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.06 -46.09 90.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.973 -0.558 . . . . 73.400000000000006 110.874 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.7 tttt -60.8 -39.97 90.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.287 -0.415 . . . . 62.100000000000001 110.791 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.5 -42.99 70.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 42.100000000000001 111.207 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.6 mtmm -60.21 -31.71 70.42 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.075 -0.511 . . . . 73.400000000000006 110.948 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -73.74 -43.15 59.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 65.200000000000003 110.855 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.29 -43.53 81.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.271 -0.422 . . . . 64.299999999999997 110.946 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.4 mt -69.5 -45.09 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 74.299999999999997 110.977 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.655 ' O ' HG23 ' A' ' 61' ' ' VAL . 43.1 ttp85 -66.82 -45.53 77.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 75.200000000000003 110.857 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.8 -33.64 66.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 52.5 111.024 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -74.2 -30.61 62.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 62.399999999999999 110.797 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 64.2 m -74.92 -34.02 62.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 73.099999999999994 110.855 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.971 HG22 HD22 ' B' ' 118' ' ' LEU . 21.6 t -65.72 -50.21 72.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 63.100000000000001 111.075 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -64.38 -31.49 72.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 70.299999999999997 110.925 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -71.07 -37.4 72.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 74.099999999999994 110.866 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.74 -46.46 90.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 75.200000000000003 110.912 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -60.72 -42.27 96.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 63.399999999999999 110.917 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.3 mtp180 -67.82 -43.51 79.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 61.299999999999997 110.857 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.6 ' O ' HD23 ' A' ' 29' ' ' LEU . . . -58.8 -49.87 76.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 53.200000000000003 111.16 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -59.78 -31.07 69.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 71.5 110.887 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -33.63 73.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 74.299999999999997 110.917 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.648 HD22 ' CD1' ' A' ' 25' ' ' TYR . 74.5 mt -68.22 -54.01 20.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 54.399999999999999 110.884 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -60.35 -35.16 75.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 74.299999999999997 110.926 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -67.06 -31.61 72.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 74.400000000000006 110.89 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -71.94 -37.14 70.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 75.299999999999997 110.721 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.508 HD13 ' OE1' ' A' ' 26' ' ' GLU . 8.9 mt -85.13 -31.9 23.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.902 0.382 . . . . 71.099999999999994 110.781 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.1 ttm-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 74.400000000000006 110.872 179.993 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 115' ' ' GLU . . . . . 0.602 ' HA ' HD21 ' B' ' 118' ' ' LEU . 3.2 tt0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.82 0.343 . . . . 71.299999999999997 110.904 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.61 -30.25 68.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 64.099999999999994 110.966 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -59.04 -60.45 3.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.426 . . . . 73.099999999999994 110.953 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.971 HD22 HG22 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -72.19 -30.35 64.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 61.0 110.931 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 39.9 t -60.23 -49.4 77.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 70.099999999999994 110.862 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -46.26 87.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.400000000000006 110.896 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -63.15 -31.38 72.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 64.200000000000003 110.899 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.17 -53.97 51.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 73.5 110.92 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.04 -31.32 69.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 70.200000000000003 111.101 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.99 -39.81 29.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 63.0 111.093 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.492 HD23 ' HG2' ' A' ' 33' ' ' GLN . 6.2 tp . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 73.299999999999997 110.952 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.835 0.35 . . . . 74.200000000000003 110.876 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.89 -56.9 15.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 73.099999999999994 111.162 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -61.6 -45.8 92.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.415 . . . . 74.299999999999997 110.985 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -65.76 -32.11 73.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 74.400000000000006 110.69 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 5' ' ' THR . . . -64.83 -57.13 9.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 73.099999999999994 111.11 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.0 mt -61.62 -33.61 58.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 74.299999999999997 111.029 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -60.28 -39.29 86.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 71.099999999999994 110.904 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.602 HD23 HD23 ' A' ' 31' ' ' LEU . 6.0 mt -68.89 -37.42 78.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 71.400000000000006 110.924 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.529 HG11 ' CZ ' ' A' ' 63' ' ' TYR . 22.0 t -64.02 -50.1 78.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 75.299999999999997 111.118 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -57.77 -34.88 70.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 73.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -73.85 -27.38 61.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 73.099999999999994 111.043 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.74 -40.76 24.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.332 -0.395 . . . . 63.0 111.045 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -44.98 94.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 70.099999999999994 110.705 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -69.24 -39.22 78.63 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.192 -0.458 . . . . 63.200000000000003 110.891 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -60.65 -55.86 28.19 Favored 'General case' 0 CA--C 1.524 -0.042 0 CA-C-N 115.973 -0.558 . . . . 61.200000000000003 111.051 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.635 ' OD2' HD11 ' A' ' 70' ' ' LEU . 7.3 t0 -57.29 -30.21 64.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.497 -0.32 . . . . 74.400000000000006 110.935 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -83.96 -27.48 28.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.979 -0.555 . . . . 64.299999999999997 111.073 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.29 32.97 2.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.139 -0.482 . . . . 64.0 111.32 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp 58.97 71.34 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 73.099999999999994 110.959 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -160.57 78.19 0.62 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.22 -0.445 . . . . 73.299999999999997 110.996 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' A' ' 73' ' ' TYR . 51.4 m-85 -75.1 -31.35 61.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.863 -0.608 . . . . 75.200000000000003 110.861 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.687 ' HG2' HD13 ' A' ' 74' ' ' LEU . 2.9 mt-10 -66.48 -48.33 70.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 75.200000000000003 110.866 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -71.54 -43.46 66.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 64.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.75 -44.22 93.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 72.200000000000003 111.133 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.536 HD23 ' O ' ' A' ' 29' ' ' LEU . 5.7 tt -60.26 -48.99 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 74.200000000000003 110.897 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -61.89 -50.57 71.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 65.5 110.906 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.602 HD23 HD23 ' A' ' 12' ' ' LEU . 16.2 mt -60.16 -31.5 70.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 71.200000000000003 110.903 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.805 ' O ' HG23 ' A' ' 36' ' ' VAL . 3.4 m-85 -68.85 -31.55 70.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 74.400000000000006 110.905 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -74.35 -49.31 23.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 73.099999999999994 110.924 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.404 ' HB2' HD22 ' A' ' 12' ' ' LEU . 4.8 m-70 -60.5 -42.1 95.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 61.200000000000003 110.895 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.486 ' HB2' ' CB ' ' A' ' 12' ' ' LEU . . . -60.0 -51.87 67.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 53.399999999999999 111.09 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 32' ' ' TYR . 27.8 t -63.23 -38.95 83.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 73.099999999999994 111.054 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -60.63 -37.47 81.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 72.200000000000003 110.899 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -73.42 -31.9 64.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 73.299999999999997 110.874 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -70.41 -46.77 63.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 74.400000000000006 110.922 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.2 mt -60.28 -38.38 83.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 73.299999999999997 110.875 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -73.16 -31.41 64.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 74.099999999999994 110.906 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.94 -43.99 64.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 74.099999999999994 111.1 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.812 HD11 ' CG2' ' A' ' 56' ' ' ILE . 23.5 mt -77.25 -31.16 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 73.5 111.154 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -67.59 -41.93 83.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 72.099999999999994 110.853 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -79.21 -37.2 38.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 71.200000000000003 110.938 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -150.71 128.26 11.48 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.188 -0.46 . . . . 64.299999999999997 111.032 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -129.06 143.1 50.75 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.271 -0.422 . . . . 70.099999999999994 111.134 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -68.21 -67.63 0.45 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.369 -0.378 . . . . 62.299999999999997 110.718 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.86 -177.76 6.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 64.299999999999997 110.697 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.8 -46.69 89.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 64.299999999999997 110.672 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 tttp -60.34 -52.58 64.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 62.200000000000003 110.92 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.443 ' O ' HD12 ' A' ' 56' ' ' ILE . . . -60.16 -43.4 95.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 54.100000000000001 110.868 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -59.95 -49.7 76.66 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.168 -0.469 . . . . 75.400000000000006 110.732 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.04 -29.47 67.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.874 0.369 . . . . 72.299999999999997 111.03 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 t -81.1 -49.28 11.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 44.5 110.775 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.812 ' CG2' HD11 ' A' ' 43' ' ' ILE . 5.5 mt -60.69 -38.11 77.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.376 -0.375 . . . . 62.5 110.833 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.9 ' O ' HG23 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -71.82 -37.35 70.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 72.5 110.838 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.417 ' N ' ' HG3' ' A' ' 57' ' ' ARG . . . -57.1 -41.05 78.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.958 0.409 . . . . 74.0 110.757 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.405 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 5.7 tttt -70.82 -34.55 71.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.973 -0.558 . . . . 51.100000000000001 110.494 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 76.9 m -69.82 -37.29 76.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 72.299999999999997 110.718 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.912 HG22 HD22 ' B' ' 118' ' ' LEU . 22.0 t -61.43 -45.81 97.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 63.0 110.979 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.59 -35.7 80.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 71.099999999999994 110.843 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.529 ' CZ ' HG11 ' A' ' 13' ' ' VAL . 18.9 m-85 -68.2 -33.07 73.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 74.200000000000003 110.88 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.776 HD13 ' O ' ' A' ' 64' ' ' LEU . 1.9 tm? -67.66 -34.79 77.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 64.400000000000006 110.861 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.61 -41.76 83.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 73.200000000000003 110.842 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.749 ' O ' HD13 ' A' ' 70' ' ' LEU . 4.9 ttt180 -60.09 -43.07 95.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 72.299999999999997 110.849 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.432 ' HB1' HD21 ' B' ' 125' ' ' LEU . . . -59.81 -50.63 73.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 73.299999999999997 111.036 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -58.69 -52.11 67.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 75.5 110.792 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.3 tttp -61.67 -30.96 71.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 74.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.749 HD13 ' O ' ' A' ' 66' ' ' ARG . 5.6 mp -71.16 -34.66 71.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 74.400000000000006 110.843 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.422 ' N ' HD12 ' A' ' 29' ' ' LEU . 1.2 ttpp -63.0 -46.21 88.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 73.200000000000003 110.872 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.58 -30.83 71.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 64.099999999999994 110.976 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' A' ' 25' ' ' TYR . 29.5 t80 -60.18 -45.4 93.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 74.299999999999997 110.849 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.687 HD13 ' HG2' ' A' ' 26' ' ' GLU . 5.1 mt -84.49 -31.4 24.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.214 -0.448 . . . . 74.400000000000006 110.926 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.082 -0.508 . . . . 74.400000000000006 111.018 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.825 0.345 . . . . 72.299999999999997 110.933 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -80.37 -25.45 39.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 72.299999999999997 111.096 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -57.26 -60.4 3.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.347 -0.388 . . . . 62.200000000000003 111.091 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.912 HD22 HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -72.47 -31.03 65.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 61.200000000000003 110.901 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 38.6 t -60.45 -48.31 82.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 70.400000000000006 110.885 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -63.6 -45.69 89.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 64.099999999999994 110.908 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 43.5 mtt-85 -63.84 -31.45 72.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 75.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.621 ' CD2' HD23 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -60.02 -54.0 51.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 74.5 110.953 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.42 -37.3 80.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 54.100000000000001 111.051 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.62 -34.39 74.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 64.299999999999997 111.132 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.432 HD21 ' HB1' ' A' ' 67' ' ' ALA . 1.6 tp . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 64.400000000000006 110.85 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.83 0.347 . . . . 71.200000000000003 110.917 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.32 -48.57 27.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 70.400000000000006 110.878 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -60.42 -45.61 92.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 71.5 110.97 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -64.41 -31.56 72.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 73.400000000000006 110.889 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.648 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -61.59 -56.79 16.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 75.400000000000006 111.112 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.1 mt -62.72 -38.57 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 71.099999999999994 111.024 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.81 -46.09 90.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 74.200000000000003 111.168 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.756 ' CB ' ' HB2' ' A' ' 35' ' ' ALA . 25.1 mt -61.9 -40.45 95.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 71.400000000000006 110.854 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 9' ' ' ALA . 35.2 t -65.01 -44.01 96.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 71.400000000000006 111.026 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.5 m -54.93 -37.85 66.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 73.200000000000003 111.052 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.501 ' HB2' HD22 ' A' ' 31' ' ' LEU . 2.3 mmtp -72.49 -30.18 64.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 75.200000000000003 110.878 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.414 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -75.89 -42.82 48.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 54.399999999999999 111.015 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -38.23 83.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 52.299999999999997 110.599 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -72.66 -32.61 65.97 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.539 -0.3 . . . . 74.200000000000003 110.728 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -76.92 -48.56 17.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.643 0.258 . . . . 62.5 110.841 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.777 ' OD2' HD11 ' A' ' 70' ' ' LEU . 4.3 t0 -58.65 -30.43 67.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.561 -0.291 . . . . 74.400000000000006 110.988 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.1 -22.68 24.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 75.099999999999994 111.052 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.57 29.77 2.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.786 0.327 . . . . 52.299999999999997 111.319 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt 59.33 41.96 18.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 73.299999999999997 111.06 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -128.11 76.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.236 -0.438 . . . . 75.200000000000003 110.777 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.619 ' CD1' HD22 ' A' ' 70' ' ' LEU . 17.2 m-85 -73.12 -34.15 65.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 74.400000000000006 110.961 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -67.8 -38.24 83.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 72.5 110.863 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.588 ' O ' HD12 ' A' ' 31' ' ' LEU . 2.0 tp10 -82.96 -32.15 27.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 74.400000000000006 110.941 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.408 ' HB2' ' N ' ' A' ' 20' ' ' ASP . . . -74.32 -34.31 63.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 62.5 111.117 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.704 ' CD2' ' HB1' ' A' ' 67' ' ' ALA . 3.4 tm? -65.93 -55.56 16.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 61.299999999999997 110.962 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.3 ppt_? -59.37 -33.21 70.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 73.0 110.963 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.588 HD12 ' O ' ' A' ' 27' ' ' GLU . 33.0 mt -75.74 -31.39 59.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 62.299999999999997 110.965 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.864 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.2 m-85 -73.89 -48.56 30.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 71.299999999999997 110.93 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -59.56 -37.8 79.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 64.5 110.963 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.571 ' HB3' HD22 ' A' ' 12' ' ' LEU . 1.9 t-80 -64.2 -43.3 95.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 74.200000000000003 110.926 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.756 ' HB2' ' CB ' ' A' ' 12' ' ' LEU . . . -71.51 -45.11 63.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 52.299999999999997 111.134 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 32' ' ' TYR . 31.2 t -61.12 -37.72 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 62.200000000000003 111.106 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -40.12 94.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 71.200000000000003 110.894 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -71.05 -33.56 70.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 62.100000000000001 110.885 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.529 ' CZ ' ' HB1' ' A' ' 9' ' ' ALA . 2.6 m-85 -60.43 -54.11 49.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 63.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.666 ' HA ' HD12 ' A' ' 43' ' ' ILE . 44.9 mt -60.13 -35.79 76.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 74.400000000000006 110.882 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -61.09 -31.38 71.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 72.5 110.941 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.8 -29.98 45.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 74.400000000000006 111.132 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.707 HD11 HG22 ' A' ' 56' ' ' ILE . 21.6 mt -74.11 -32.01 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 61.299999999999997 111.08 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -32.12 40.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 72.200000000000003 110.958 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -80.44 -75.01 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.299999999999997 110.892 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -130.78 123.17 28.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 74.400000000000006 110.799 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.543 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -119.81 173.86 6.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.077 -0.511 . . . . 74.099999999999994 111.323 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -90.93 -48.79 6.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.988 -0.551 . . . . 75.400000000000006 110.914 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.28 179.6 1.21 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.317 -0.402 . . . . 50.200000000000003 111.231 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.5 -51.41 69.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.953 0.406 . . . . 75.099999999999994 110.865 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.6 tttm -59.99 -52.31 65.94 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.066 -0.516 . . . . 74.200000000000003 110.699 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.83 -44.12 94.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 44.200000000000003 111.036 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.543 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 2.1 mtmp? -59.73 -42.57 93.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.01 -0.541 . . . . 63.100000000000001 110.868 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.68 -31.59 70.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.382 -0.372 . . . . 64.5 110.882 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.5 t -69.7 -35.69 75.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.198 -0.456 . . . . 64.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.707 HG22 HD11 ' A' ' 43' ' ' ILE . 29.9 mt -73.07 -30.92 33.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 71.400000000000006 111.058 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.777 ' O ' HG23 ' A' ' 61' ' ' VAL . 3.5 mpp_? -72.32 -50.08 29.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 71.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.04 -45.34 75.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 71.299999999999997 111.137 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.574 ' HE2' HG23 ' A' ' 56' ' ' ILE . 14.5 pttt -64.93 -32.49 74.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 62.200000000000003 110.758 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 52.9 m -73.4 -43.46 60.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 71.299999999999997 110.913 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.949 HG22 HD22 ' B' ' 118' ' ' LEU . 21.4 t -58.63 -37.87 67.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 62.299999999999997 111.12 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -70.78 -36.26 72.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 71.299999999999997 110.895 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -67.16 -32.04 72.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 72.299999999999997 110.923 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.504 HD21 ' HB3' ' B' ' 121' ' ' ARG . 0.6 OUTLIER -72.81 -35.74 67.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 74.200000000000003 110.875 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.41 -54.37 46.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 54.100000000000001 110.849 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -43.65 95.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 72.5 110.856 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.704 ' HB1' ' CD2' ' A' ' 29' ' ' LEU . . . -58.19 -45.67 87.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 61.100000000000001 111.072 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -56.89 -35.39 68.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 73.099999999999994 110.746 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -78.59 -28.92 45.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.037 -0.528 . . . . 65.299999999999997 111.032 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.777 HD11 ' OD2' ' A' ' 20' ' ' ASP . 31.8 mt -66.01 -49.04 69.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.352 -0.386 . . . . 74.200000000000003 110.82 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -65.31 -43.22 91.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 73.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.48 -31.2 71.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 75.099999999999994 110.892 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -64.71 -53.31 49.32 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 121.109 0.48 . . . . 74.099999999999994 111.242 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.0 mt -66.76 -31.53 72.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.963 -0.562 . . . . 75.200000000000003 110.942 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 . . . . . 0 C--N 1.322 -0.589 0 CA-C-O 121.034 0.445 . . . . 45.399999999999999 111.1 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 115' ' ' GLU . . . . . 0.477 ' HA ' HD21 ' B' ' 118' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.786 0.327 . . . . 73.200000000000003 110.882 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -74.7 -41.08 60.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 62.5 110.912 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -57.01 10.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 63.399999999999999 110.907 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.949 HD22 HG22 ' A' ' 61' ' ' VAL . 3.8 pp -60.16 -36.89 78.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 70.099999999999994 110.903 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 6.0 m -63.21 -40.0 96.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 73.200000000000003 110.911 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 55.1 ttt-85 -60.47 -41.64 94.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 61.299999999999997 110.907 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 121' ' ' ARG . . . . . 0.504 ' HB3' HD21 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -60.39 -40.38 90.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 64.299999999999997 110.906 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.509 ' CD1' HG12 ' A' ' 36' ' ' VAL . 1.6 tt -60.32 -44.44 95.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 75.099999999999994 110.914 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.99 93.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 54.5 111.114 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.34 -31.11 70.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 61.399999999999999 111.131 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' B' ' 125' ' ' LEU . 8.2 tp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 74.5 110.892 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.8 m . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.865 0.364 . . . . 64.200000000000003 110.838 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.436 ' O ' HD12 ' A' ' 10' ' ' ILE . 4.5 mm? -63.9 -46.1 86.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 75.400000000000006 110.923 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -48.32 82.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 33.299999999999997 110.946 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -64.77 -31.65 72.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 72.200000000000003 110.721 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.1 -56.45 12.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 74.299999999999997 111.161 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.436 HD12 ' O ' ' A' ' 6' ' ' LEU . 3.8 mt -59.23 -35.31 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 65.099999999999994 111.058 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -59.35 -42.39 91.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 75.099999999999994 110.864 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.723 HD22 ' CB ' ' A' ' 34' ' ' HIS . 5.2 mt -64.63 -36.42 84.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.502 . . . . 63.299999999999997 110.872 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.463 HG11 ' CZ ' ' A' ' 63' ' ' TYR . 25.8 t -66.09 -48.82 80.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 51.200000000000003 111.06 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.78 -26.8 66.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 75.200000000000003 111.004 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.711 ' CB ' HD22 ' A' ' 31' ' ' LEU . 9.8 mmmt -76.15 -32.46 59.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 74.099999999999994 110.838 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.573 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -76.27 -44.44 37.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 44.100000000000001 111.14 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 18' ' ' GLU . 10.9 t -60.08 -46.62 88.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 73.5 110.935 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.437 ' N ' HG23 ' A' ' 17' ' ' THR . 12.5 pt-20 -59.75 -45.35 92.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 75.0 110.707 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.86 -30.28 70.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 73.299999999999997 110.67 179.646 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.84 -34.56 77.58 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.865 -0.607 . . . . 74.299999999999997 110.932 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.04 -24.19 23.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 70.400000000000006 111.244 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.65 25.34 4.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.156 -0.475 . . . . 65.200000000000003 111.334 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.8 mttt 54.71 68.17 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.482 -0.326 . . . . 70.099999999999994 111.066 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -143.07 60.94 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.913 0.387 . . . . 64.400000000000006 110.858 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.663 ' HA ' HD22 ' A' ' 70' ' ' LEU . 13.8 m-85 -64.64 -31.48 72.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 61.100000000000001 110.854 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -71.28 -36.29 71.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.779 0.324 . . . . 74.400000000000006 110.853 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -83.0 -45.97 13.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 72.299999999999997 110.956 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.79 -30.49 65.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 53.200000000000003 111.218 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.533 HD11 ' HB2' ' A' ' 71' ' ' LYS . 4.8 tt -63.26 -56.37 17.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.413 . . . . 73.299999999999997 110.905 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -59.31 -34.58 72.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 72.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.711 HD22 ' CB ' ' A' ' 15' ' ' LYS . 9.5 mt -72.59 -31.18 64.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 65.5 110.897 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.573 ' CE2' ' HB1' ' A' ' 16' ' ' ALA . 6.8 m-85 -73.08 -45.47 57.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 74.400000000000006 110.913 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.784 ' OE1' HD23 ' B' ' 125' ' ' LEU . 16.4 mt-30 -59.5 -38.87 82.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 74.099999999999994 110.93 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.723 ' CB ' HD22 ' A' ' 12' ' ' LEU . 42.9 m-70 -66.88 -44.37 81.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 74.200000000000003 110.904 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.11 -57.48 12.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 54.0 111.101 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.896 HG11 HD12 ' A' ' 64' ' ' LEU . 21.6 t -59.6 -41.15 84.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 63.0 111.091 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -60.25 -50.29 74.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 74.200000000000003 110.88 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -63.45 -31.44 72.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 64.200000000000003 110.877 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -69.28 -43.03 74.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 75.099999999999994 110.916 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.858 ' HA ' HD12 ' A' ' 43' ' ' ILE . 85.7 mt -60.2 -35.59 75.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 75.400000000000006 110.891 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -74.36 -31.25 62.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 64.299999999999997 110.893 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.75 -30.84 67.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 63.100000000000001 111.15 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.858 HD12 ' HA ' ' A' ' 40' ' ' LEU . 6.0 mt -71.86 -54.96 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 71.099999999999994 111.061 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -31.52 70.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 72.200000000000003 110.926 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -76.94 -74.47 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 50.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -134.83 121.62 20.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 73.299999999999997 110.666 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -118.32 150.82 38.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.101 -0.499 . . . . 51.200000000000003 111.008 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -68.14 -66.75 0.53 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.048 -0.524 . . . . 75.400000000000006 111.038 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 p -160.75 -177.52 6.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.082 -0.508 . . . . 51.299999999999997 110.982 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -64.77 -47.98 76.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.951 0.405 . . . . 64.200000000000003 111.039 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -60.52 -45.73 92.73 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.991 -0.55 . . . . 64.299999999999997 111.039 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.518 ' O ' HD12 ' A' ' 56' ' ' ILE . . . -63.9 -40.76 97.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 74.299999999999997 111.127 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -60.39 -31.5 70.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.969 -0.56 . . . . 73.299999999999997 110.744 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -71.41 -39.17 71.27 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.278 -0.419 . . . . 73.299999999999997 110.884 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.4 t -71.03 -46.2 62.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 64.299999999999997 110.798 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 52' ' ' ALA . 4.5 mt -62.37 -31.29 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 51.299999999999997 111.007 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.594 ' O ' HG23 ' A' ' 61' ' ' VAL . 20.6 mtp180 -65.63 -51.06 62.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 72.400000000000006 110.878 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.04 -32.97 66.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 71.200000000000003 111.103 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -71.45 -30.77 66.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 110.847 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 70.8 m -79.52 -46.26 17.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 74.400000000000006 110.898 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.954 HG22 HD22 ' B' ' 118' ' ' LEU . 21.8 t -58.86 -31.57 45.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 73.099999999999994 111.131 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -78.18 -41.55 34.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 74.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.463 ' CZ ' HG11 ' A' ' 13' ' ' VAL . 9.4 m-85 -71.17 -31.73 68.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 74.200000000000003 110.889 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.896 HD12 HG11 ' A' ' 36' ' ' VAL . 2.4 tt -70.34 -40.79 73.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 62.299999999999997 110.866 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -65.74 -34.4 78.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 72.299999999999997 110.912 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -67.79 -39.7 84.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 74.299999999999997 110.885 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.748 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -59.64 -50.51 73.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 53.399999999999999 111.128 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.474 ' HA ' HD11 ' B' ' 125' ' ' LEU . 6.9 pt-20 -60.21 -31.8 70.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 72.200000000000003 110.905 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 57.3 tttt -66.97 -40.84 87.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 72.5 110.93 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.748 HD12 ' HA ' ' A' ' 67' ' ' ALA . 4.1 mt -64.82 -31.89 73.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 71.200000000000003 110.904 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.533 ' HB2' HD11 ' A' ' 29' ' ' LEU . 8.3 tttt -66.16 -44.21 84.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 73.400000000000006 110.885 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.63 -31.27 66.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 74.099999999999994 110.875 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.5 ' CE1' ' CE2' ' A' ' 25' ' ' TYR . 12.8 t80 -60.31 -42.33 95.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.971 -0.559 . . . . 72.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.5 mt -83.74 -40.6 18.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.154 -0.475 . . . . 75.099999999999994 110.985 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 63.299999999999997 111.178 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 115' ' ' GLU . . . . . 0.622 ' HA ' HD21 ' B' ' 118' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.769 0.318 . . . . 75.400000000000006 110.879 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -69.88 -30.09 67.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 64.299999999999997 110.984 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -59.06 -60.36 4.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 74.099999999999994 110.955 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.954 HD22 HG22 ' A' ' 61' ' ' VAL . 1.0 OUTLIER -71.85 -29.68 64.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 72.099999999999994 110.954 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 38.2 t -60.98 -41.81 97.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 43.100000000000001 110.926 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 26.1 mtm180 -70.83 -43.0 69.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 63.100000000000001 110.877 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -60.59 -31.95 71.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 71.200000000000003 110.904 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.409 ' HB2' HD11 ' A' ' 64' ' ' LEU . 1.4 tt -70.3 -43.31 70.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 61.399999999999999 110.864 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.07 -31.3 69.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 73.200000000000003 111.074 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.67 -34.47 53.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 64.299999999999997 111.078 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.784 HD23 ' OE1' ' A' ' 33' ' ' GLN . 3.4 tp . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 74.200000000000003 110.916 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.5 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.804 0.335 . . . . 73.099999999999994 110.871 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.475 ' O ' HD12 ' A' ' 10' ' ' ILE . 4.4 mm? -73.49 -47.93 37.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 74.099999999999994 110.905 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -60.34 -39.89 88.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.221 -0.445 . . . . 75.400000000000006 110.783 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -72.17 -37.85 69.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 63.200000000000003 110.882 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.14 -47.13 84.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 73.200000000000003 111.082 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.475 HD12 ' O ' ' A' ' 6' ' ' LEU . 4.6 mt -63.55 -49.43 82.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 53.5 111.079 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.47 -31.2 69.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 70.400000000000006 110.927 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.424 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 27.5 mt -71.1 -51.1 27.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 62.399999999999999 110.894 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.627 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 11.8 p -66.75 -34.75 72.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 74.299999999999997 111.14 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 73.6 m -59.2 -55.54 33.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 70.299999999999997 110.893 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 mttp -60.69 -31.31 70.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 72.5 110.887 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.546 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -67.07 -41.27 86.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 72.0 111.106 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.21 -43.11 96.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 62.0 110.724 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -62.15 -39.43 92.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.938 0.399 . . . . 72.400000000000006 110.844 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.89 -51.72 68.8 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.244 -0.435 . . . . 74.299999999999997 110.846 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -57.74 -29.93 65.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 54.299999999999997 111.075 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -78.99 -26.25 43.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.389 -0.368 . . . . 63.399999999999999 110.871 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.05 29.46 3.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.75 0.31 . . . . 74.299999999999997 111.257 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 mttt 59.01 36.68 24.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 73.299999999999997 111.062 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -121.55 77.52 1.35 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.22 -0.446 . . . . 72.200000000000003 110.933 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.489 ' CD1' HD22 ' A' ' 70' ' ' LEU . 24.7 m-85 -74.7 -31.29 61.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.019 -0.537 . . . . 73.200000000000003 110.92 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.45 ' N ' HD11 ' A' ' 74' ' ' LEU . 5.6 tp10 -62.64 -52.03 64.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.394 -0.366 . . . . 74.099999999999994 110.808 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -71.31 -41.1 70.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 72.099999999999994 110.892 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.01 -46.26 90.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 51.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.549 HD13 ' C ' ' A' ' 29' ' ' LEU . 3.5 tm? -59.71 -46.38 89.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 61.100000000000001 110.848 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.0 mmt-85 -60.1 -48.9 79.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 70.099999999999994 110.955 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.546 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 11.2 mt -70.71 -31.29 68.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 64.099999999999994 110.974 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.507 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.2 m-85 -59.88 -60.81 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 74.5 110.915 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.644 ' HB3' HD23 ' B' ' 125' ' ' LEU . 16.0 pt20 -59.62 -31.21 69.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 75.0 110.932 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -67.95 -40.82 83.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 71.299999999999997 110.938 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.507 ' HB2' ' N ' ' A' ' 13' ' ' VAL . . . -68.69 -37.06 79.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 71.299999999999997 111.102 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 32' ' ' TYR . 24.9 t -73.78 -35.49 43.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 73.099999999999994 111.131 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.619 ' HG2' HD21 ' B' ' 122' ' ' LEU . 1.5 tm-20 -60.04 -44.1 94.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 75.099999999999994 110.907 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -69.7 -34.81 74.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 72.400000000000006 110.903 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -60.3 -50.62 72.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 73.299999999999997 110.869 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.513 ' CD1' HD13 ' B' ' 122' ' ' LEU . 75.5 mt -59.14 -40.86 86.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 62.200000000000003 110.928 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -60.19 -31.17 69.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 71.5 110.874 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.95 -33.66 66.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 75.099999999999994 111.134 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.963 HD11 HG21 ' A' ' 56' ' ' ILE . 31.7 mt -71.37 -51.48 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 61.5 111.115 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.425 ' HE3' ' CD1' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -60.1 -35.89 76.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 74.099999999999994 110.936 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.425 ' CD1' ' HE3' ' A' ' 44' ' ' LYS . 4.5 m-85 -75.39 -31.58 60.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 60.5 110.864 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -165.53 154.9 12.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 55.100000000000001 110.858 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.13 132.72 5.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.131 -0.486 . . . . 65.299999999999997 111.289 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -63.55 -74.72 0.09 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 64.200000000000003 110.672 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.9 m -144.67 -178.23 5.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.295 -0.411 . . . . 52.299999999999997 111.107 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -64.97 -37.97 89.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.341 -0.391 . . . . 65.299999999999997 110.899 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -60.11 -52.63 64.51 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.262 -0.426 . . . . 75.200000000000003 110.71 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.84 -42.81 94.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 64.400000000000006 111.219 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -60.53 -33.01 72.02 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 121.024 0.44 . . . . 73.299999999999997 111.075 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -64.89 -43.41 93.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.092 -0.504 . . . . 71.299999999999997 110.929 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.0 t -60.4 -37.8 81.96 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.964 -0.562 . . . . 73.299999999999997 111.172 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.963 HG21 HD11 ' A' ' 43' ' ' ILE . 32.3 mt -71.42 -35.86 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 116.34 -0.391 . . . . 75.5 110.991 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -61.83 -55.38 30.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 74.200000000000003 110.857 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.495 ' HA ' HG12 ' A' ' 61' ' ' VAL . . . -59.84 -30.73 69.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 61.0 111.088 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 6.5 ttmt -74.76 -31.64 61.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 70.200000000000003 110.751 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 99.8 m -80.62 -45.68 16.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 71.200000000000003 110.897 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 58' ' ' ALA . 12.4 p -58.47 -38.33 69.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 74.5 111.102 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -72.35 -40.57 67.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 64.400000000000006 110.836 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.627 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 2.9 m-85 -64.81 -32.28 73.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 63.399999999999999 110.857 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.413 ' CD1' HG11 ' A' ' 36' ' ' VAL . 1.9 mp -72.11 -36.02 69.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 75.299999999999997 110.799 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.44 -52.44 65.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 55.399999999999999 110.892 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -41.33 97.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 63.399999999999999 110.847 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.411 ' HB1' ' CD2' ' A' ' 29' ' ' LEU . . . -57.53 -45.68 84.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 55.100000000000001 111.059 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -58.97 -37.14 76.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 74.099999999999994 110.754 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.29 -30.4 54.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.067 -0.515 . . . . 73.200000000000003 111.065 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.489 HD22 ' CD1' ' A' ' 25' ' ' TYR . 27.9 mt -69.21 -53.03 22.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 73.5 110.865 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -60.89 -37.92 83.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 61.399999999999999 110.902 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -73.66 -30.42 62.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 71.200000000000003 110.91 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.457 ' CE1' ' CE2' ' A' ' 25' ' ' TYR . 46.3 t80 -59.87 -45.37 92.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.099 -0.5 . . . . 74.5 110.893 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.45 HD11 ' N ' ' A' ' 26' ' ' GLU . 4.0 mt -76.19 -31.56 58.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.114 -0.494 . . . . 74.200000000000003 110.994 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 116.219 -0.446 . . . . 65.400000000000006 110.88 -179.933 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 115' ' ' GLU . . . . . 0.565 ' HA ' HD21 ' B' ' 118' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.831 0.348 . . . . 61.100000000000001 110.911 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -67.22 -30.26 70.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 75.099999999999994 110.923 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -59.35 -60.43 3.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 71.200000000000003 110.944 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.58 HD23 ' H ' ' B' ' 118' ' ' LEU . 0.8 OUTLIER -72.93 -30.84 64.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 62.100000000000001 110.937 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 40.1 t -60.21 -47.29 86.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 75.200000000000003 110.872 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 11.7 mtt85 -67.42 -39.14 85.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 63.200000000000003 110.884 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -66.19 -36.99 84.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 75.200000000000003 110.851 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.619 HD21 ' HG2' ' A' ' 37' ' ' GLU . 7.8 tt -60.92 -45.56 94.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 74.200000000000003 110.889 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.2 -53.53 56.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 70.200000000000003 111.095 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.87 -30.14 68.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 73.299999999999997 111.106 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.644 HD23 ' HB3' ' A' ' 33' ' ' GLN . 5.5 tp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 71.299999999999997 110.965 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.9 m . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 120.8 0.333 . . . . 72.200000000000003 110.827 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.26 -44.57 75.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 61.299999999999997 110.878 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -30.98 70.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 72.200000000000003 111.201 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -81.9 -38.35 25.44 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.134 -0.485 . . . . 63.299999999999997 111.158 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.14 87.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 73.400000000000006 111.117 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.0 mt -77.46 -43.67 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 44.399999999999999 111.135 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -59.55 -31.59 69.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 75.400000000000006 110.912 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.82 HD22 ' HB3' ' A' ' 34' ' ' HIS . 16.5 mt -71.82 -56.13 6.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 63.5 110.918 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.702 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 11.7 p -59.78 -35.12 58.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 73.5 111.098 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.7 m -60.19 -47.1 87.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 75.0 110.821 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.7 mttt -65.85 -33.68 76.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 64.299999999999997 110.881 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.516 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -66.98 -31.3 71.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 70.200000000000003 111.052 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.74 -50.65 48.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 71.200000000000003 110.779 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -61.5 -32.98 73.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 73.299999999999997 111.074 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -54.75 42.01 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 115.894 -0.594 . . . . 70.400000000000006 111.001 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -57.8 -30.55 65.78 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.241 -0.436 . . . . 72.5 110.713 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -76.59 -27.47 55.82 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.053 -0.521 . . . . 75.0 110.937 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.57 29.39 3.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.44 -0.345 . . . . 70.299999999999997 111.098 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt 58.85 38.27 24.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.419 . . . . 73.400000000000006 110.929 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -122.26 79.2 1.57 Allowed 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.221 -0.445 . . . . 72.299999999999997 110.874 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.492 ' CE2' ' CE1' ' A' ' 73' ' ' TYR . 26.4 m-85 -77.47 -35.36 53.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.413 -0.358 . . . . 75.0 110.744 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.503 ' CA ' HD11 ' A' ' 74' ' ' LEU . 1.5 tt0 -67.7 -33.11 74.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.828 0.347 . . . . 62.200000000000003 110.862 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -83.01 -34.81 26.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 73.299999999999997 110.851 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.56 -38.03 86.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 55.399999999999999 111.132 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.709 HD23 ' O ' ' A' ' 29' ' ' LEU . 3.2 tt -60.23 -38.14 82.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 62.100000000000001 110.906 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -65.0 -54.95 22.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 64.5 110.869 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.516 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 3.8 mm? -60.26 -31.83 70.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 73.400000000000006 110.904 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.798 ' O ' HG23 ' A' ' 36' ' ' VAL . 5.4 m-85 -70.44 -31.52 68.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 65.099999999999994 110.875 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.553 ' HG2' HD23 ' B' ' 125' ' ' LEU . 23.7 mt-30 -72.2 -54.09 10.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 72.5 110.91 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.82 ' HB3' HD22 ' A' ' 12' ' ' LEU . 1.9 t-160 -60.24 -40.4 90.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 45.100000000000001 110.937 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.474 ' HB2' ' CB ' ' A' ' 12' ' ' LEU . . . -59.67 -53.94 52.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 75.299999999999997 111.113 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.977 HG11 HD23 ' A' ' 64' ' ' LEU . 28.5 t -63.54 -36.49 76.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 52.299999999999997 111.047 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -60.42 -48.2 82.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 74.400000000000006 110.867 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -65.52 -31.71 72.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 74.200000000000003 110.899 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -62.77 -50.77 69.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 62.399999999999999 110.896 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.1 mt -60.34 -33.14 71.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 75.299999999999997 110.875 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -78.18 -31.75 49.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 74.299999999999997 110.913 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.18 -40.81 74.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 61.100000000000001 111.034 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.475 HD11 ' CG2' ' A' ' 56' ' ' ILE . 23.5 mt -77.56 -31.19 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 71.5 111.091 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.7 tttp -72.01 -34.34 68.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 70.299999999999997 110.872 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -83.93 -33.12 24.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 73.400000000000006 110.9 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -157.01 137.67 13.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 71.299999999999997 110.779 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.48 174.21 10.84 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.151 -0.477 . . . . 74.5 111.126 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.456 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 2.2 t-80 -104.28 -65.55 1.02 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 71.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.1 -176.71 4.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 53.399999999999999 110.775 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -48.89 78.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.927 -0.579 . . . . 73.0 110.834 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -60.16 -52.94 63.2 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.119 -0.491 . . . . 65.099999999999994 110.832 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.456 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -59.8 -45.09 93.41 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.181 0.515 . . . . 72.400000000000006 111.125 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -60.52 -31.7 70.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 72.5 110.926 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -63.46 -47.4 82.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.248 -0.433 . . . . 72.400000000000006 110.922 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.3 m -60.49 -42.03 95.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 65.299999999999997 111.112 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.475 ' CG2' HD11 ' A' ' 43' ' ' ILE . 31.8 mt -71.43 -33.67 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-O 120.816 0.341 . . . . 74.099999999999994 110.938 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.613 ' O ' HG23 ' A' ' 61' ' ' VAL . 9.6 mtm180 -68.37 -51.75 40.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 75.299999999999997 110.876 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.95 -34.99 68.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 74.099999999999994 111.064 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -70.19 -30.74 67.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 65.200000000000003 110.848 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 79.3 m -78.85 -46.27 18.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 55.299999999999997 110.922 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.703 HG22 HD22 ' B' ' 118' ' ' LEU . 21.8 t -58.52 -31.03 42.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 72.0 111.143 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -77.13 -41.06 43.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 55.399999999999999 110.87 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.702 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 10.5 m-85 -68.91 -34.97 76.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 73.200000000000003 110.864 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.977 HD23 HG11 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -67.48 -42.24 83.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 73.099999999999994 110.899 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -61.04 -39.03 88.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 110.839 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.9 mtp85 -66.1 -33.74 76.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 62.5 110.935 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.454 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -62.27 -51.66 66.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 61.200000000000003 111.098 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.401 ' HA ' HD11 ' B' ' 125' ' ' LEU . 6.3 pt-20 -60.17 -31.52 70.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 61.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -67.21 -39.33 86.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 63.200000000000003 110.917 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 67' ' ' ALA . 11.1 mt -67.13 -34.93 78.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 65.099999999999994 110.903 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.589 ' HB2' HD11 ' A' ' 29' ' ' LEU . 2.6 tttm -63.57 -44.74 93.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 65.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -64.6 -31.48 72.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 63.5 110.877 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.492 ' CE1' ' CE2' ' A' ' 25' ' ' TYR . 38.7 t80 -60.27 -52.52 64.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 70.299999999999997 110.991 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.503 HD11 ' CA ' ' A' ' 26' ' ' GLU . 5.1 mt -73.74 -40.34 63.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.041 -0.527 . . . . 72.0 110.954 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 116.216 -0.447 . . . . 71.299999999999997 110.804 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 115' ' ' GLU . . . . . 0.641 ' HA ' HD21 ' B' ' 118' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.826 0.346 . . . . 72.299999999999997 110.914 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -70.05 -30.18 67.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 63.299999999999997 110.975 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -59.08 -60.37 3.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 71.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.703 HD22 HG22 ' A' ' 61' ' ' VAL . 0.9 OUTLIER -71.59 -29.85 65.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 71.299999999999997 110.949 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 44.6 t -64.82 -39.8 94.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 71.400000000000006 110.892 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -68.74 -45.75 70.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 74.299999999999997 110.899 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -60.32 -31.63 70.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 71.099999999999994 110.912 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.651 ' HG ' HD21 ' A' ' 64' ' ' LEU . 2.0 tt -66.3 -48.02 71.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 62.299999999999997 110.905 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.98 -35.03 74.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 73.099999999999994 111.071 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.86 -31.72 61.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 73.299999999999997 111.079 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.553 HD23 ' HG2' ' A' ' 33' ' ' GLN . 5.7 tp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 65.299999999999997 110.913 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.451 -0.379 0 CA-C-O 120.778 0.323 . . . . 72.200000000000003 110.842 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.15 -53.09 61.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 61.299999999999997 110.85 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -60.01 -43.78 95.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 72.200000000000003 110.755 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.423 ' O ' HD12 ' A' ' 12' ' ' LEU . 23.5 mttt -62.38 -34.67 77.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 63.299999999999997 111.039 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.515 ' HB1' ' CE1' ' A' ' 39' ' ' PHE . . . -69.13 -41.94 76.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 73.400000000000006 111.051 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.3 mt -77.5 -46.03 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 44.399999999999999 111.105 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.82 -33.08 71.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 75.400000000000006 110.897 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.583 HD22 ' HB3' ' A' ' 34' ' ' HIS . 12.1 mt -69.66 -53.82 16.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 63.5 110.884 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.608 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 11.9 p -62.89 -34.96 69.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 73.5 111.092 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.3 m -60.24 -41.42 93.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 75.0 110.841 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -70.54 -31.58 68.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 64.299999999999997 110.852 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.632 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -68.92 -40.85 78.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 70.200000000000003 111.061 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.44 -49.56 76.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 71.200000000000003 110.811 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -60.07 -38.3 82.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 73.299999999999997 110.996 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -62.65 -48.62 78.54 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.959 -0.564 . . . . 70.400000000000006 110.817 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -57.2 -30.07 64.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 72.5 110.971 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.6 mttp -77.27 -26.38 52.37 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.407 -0.36 . . . . 75.0 111.045 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.15 28.79 3.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.085 -0.507 . . . . 70.299999999999997 111.164 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt 58.05 30.9 19.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.132 0.491 . . . . 73.400000000000006 111.129 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.07 80.72 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 72.299999999999997 110.949 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.638 ' HB2' HD11 ' A' ' 74' ' ' LEU . 14.8 m-85 -71.16 -38.22 72.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 75.0 110.828 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.717 ' HG2' HD13 ' A' ' 74' ' ' LEU . 32.2 mt-10 -61.98 -60.17 4.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.878 0.37 . . . . 62.200000000000003 110.868 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.491 ' O ' HD23 ' A' ' 31' ' ' LEU . 1.9 mt-10 -62.34 -30.65 71.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 73.299999999999997 110.947 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.84 -30.87 64.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 55.399999999999999 111.155 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.524 HD13 ' C ' ' A' ' 29' ' ' LEU . 3.2 tm? -72.98 -49.03 31.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 62.100000000000001 110.966 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -59.09 -36.84 75.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 64.5 110.938 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.632 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 2.9 mm? -75.43 -31.5 60.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 73.400000000000006 110.843 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.418 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.1 m-85 -71.24 -54.79 9.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 65.099999999999994 110.906 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -59.67 -31.78 69.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 72.5 110.886 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.583 ' HB3' HD22 ' A' ' 12' ' ' LEU . 11.9 m80 -73.91 -35.83 64.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 45.100000000000001 110.879 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.49 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -72.51 -55.13 7.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 75.299999999999997 111.092 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.6 t -59.69 -41.66 86.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 52.299999999999997 111.118 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.695 ' HB2' HD21 ' B' ' 122' ' ' LEU . 5.6 tm-20 -60.01 -39.88 87.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 74.400000000000006 110.926 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -73.97 -31.52 63.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 74.200000000000003 110.887 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.515 ' CE1' ' HB1' ' A' ' 9' ' ' ALA . 3.7 m-85 -66.87 -47.93 70.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 62.399999999999999 110.876 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.901 ' HA ' HD12 ' A' ' 43' ' ' ILE . 78.1 mt -59.93 -44.86 94.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 75.299999999999997 110.922 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -60.36 -31.5 70.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 74.299999999999997 110.916 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.22 -34.29 68.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 61.100000000000001 111.163 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.901 HD12 ' HA ' ' A' ' 40' ' ' LEU . 9.5 mt -69.51 -49.37 60.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 71.5 111.06 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.23 -32.51 71.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 70.299999999999997 110.889 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -80.48 -53.98 6.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 73.400000000000006 110.924 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -137.92 150.03 46.72 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.204 -0.453 . . . . 71.299999999999997 111.07 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.68 171.5 18.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 74.5 111.102 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 64.8 m170 -103.21 -54.23 2.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.306 -0.406 . . . . 71.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.4 m -173.5 -176.04 1.23 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.173 -0.467 . . . . 53.399999999999999 110.94 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.24 -39.88 91.94 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.006 -0.543 . . . . 73.0 110.965 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -60.24 -59.18 5.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.186 -0.461 . . . . 65.099999999999994 110.749 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.14 -43.74 95.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 72.400000000000006 111.211 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -60.16 -31.43 70.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.44 . . . . 72.5 110.97 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -68.1 -46.77 70.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 72.400000000000006 110.884 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.8 m -60.54 -38.31 84.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.277 -0.42 . . . . 65.299999999999997 110.611 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.0 mt -74.54 -31.43 27.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.062 -0.517 . . . . 74.099999999999994 111.064 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.905 ' O ' HG23 ' A' ' 61' ' ' VAL . 22.9 mtt180 -71.59 -48.67 46.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 75.299999999999997 110.882 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.05 -39.85 83.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 74.099999999999994 111.085 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -69.02 -31.33 70.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 65.200000000000003 110.845 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 68.2 m -78.35 -44.61 24.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 55.299999999999997 110.886 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.7 t -58.7 -38.43 71.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 72.0 111.114 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -71.99 -38.33 69.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 55.399999999999999 110.867 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.608 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 4.5 m-85 -67.54 -34.31 76.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 73.200000000000003 110.893 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.456 HD22 ' HB2' ' B' ' 118' ' ' LEU . 15.0 tp -66.89 -41.7 86.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 73.099999999999994 110.856 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.27 -42.2 94.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 74.400000000000006 110.882 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.0 mtp85 -64.4 -32.46 74.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 62.5 110.842 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.642 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -62.42 -55.16 30.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 61.200000000000003 111.13 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -57.75 -30.31 65.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 61.0 110.961 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -71.72 -30.38 65.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 63.200000000000003 110.921 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.642 HD12 ' HA ' ' A' ' 67' ' ' ALA . 5.8 mt -77.63 -50.61 12.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 65.099999999999994 110.895 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -60.42 -32.03 70.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 65.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -77.77 -31.52 52.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 63.5 110.905 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -60.33 -43.91 95.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 70.299999999999997 110.867 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.717 HD13 ' HG2' ' A' ' 26' ' ' GLU . 2.1 mt -84.66 -40.87 16.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.129 0.49 . . . . 72.0 111.064 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 . . . . . 0 CA--C 1.521 -0.169 0 CA-C-N 115.971 -0.559 . . . . 71.299999999999997 111.264 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 115' ' ' GLU . . . . . 0.612 ' HA ' HD21 ' B' ' 118' ' ' LEU . 2.9 tt0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.872 0.368 . . . . 72.299999999999997 110.884 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.36 -30.32 67.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 63.299999999999997 110.947 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -59.27 -60.39 3.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 71.0 110.961 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.87 HD22 HG22 ' A' ' 61' ' ' VAL . 1.0 OUTLIER -72.24 -29.52 64.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 71.299999999999997 110.94 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 36.7 t -64.86 -35.05 79.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 71.400000000000006 110.93 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.63 -50.37 13.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 74.299999999999997 110.888 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -60.71 -31.9 71.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 71.099999999999994 110.938 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.695 HD21 ' HB2' ' A' ' 37' ' ' GLU . 8.9 tt -69.04 -45.13 71.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 62.299999999999997 110.84 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.85 -31.19 69.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 73.099999999999994 111.096 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.33 -33.65 63.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 73.299999999999997 111.097 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.423 HD21 HD21 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -60.84 -54.69 42.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 65.299999999999997 110.958 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -60.8 -46.69 89.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 63.299999999999997 110.944 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.225 -0.893 . . . . 75.400000000000006 110.921 179.949 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.843 0.354 . . . . 72.099999999999994 110.93 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.6 -48.46 77.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 73.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -60.36 -32.26 71.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 63.399999999999999 110.901 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -82.85 -35.2 26.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 74.299999999999997 110.69 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.647 ' HB1' ' CE1' ' A' ' 39' ' ' PHE . . . -60.16 -39.83 87.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 74.099999999999994 111.09 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.6 mt -77.65 -44.16 29.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 74.400000000000006 111.097 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -59.98 -31.27 69.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 72.5 110.941 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.714 HD22 ' HB2' ' A' ' 34' ' ' HIS . 13.6 mt -71.74 -55.74 7.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 63.5 110.917 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.512 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 11.9 p -59.75 -37.76 72.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 72.400000000000006 111.127 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 91.1 m -60.33 -52.22 66.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 60.0 110.831 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.702 ' HB3' HD13 ' A' ' 31' ' ' LEU . 10.9 mttp -61.35 -32.69 72.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 74.400000000000006 110.837 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.418 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -68.11 -39.29 82.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 35.399999999999999 111.106 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.34 -43.38 96.49 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.188 -0.46 . . . . 75.299999999999997 110.775 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -61.91 -40.09 94.28 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.619 -0.264 . . . . 55.0 110.561 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -51.36 70.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.954 0.407 . . . . 75.400000000000006 110.897 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -57.21 -30.3 64.45 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.082 -0.508 . . . . 75.299999999999997 111.117 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -79.61 -26.94 41.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.015 0.436 . . . . 74.400000000000006 111.213 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.54 29.56 3.25 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.69 -0.686 . . . . 54.299999999999997 111.092 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.0 mttm 60.17 39.49 19.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 64.299999999999997 110.717 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -122.2 77.33 1.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.392 -0.367 . . . . 75.5 110.989 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.489 ' CD1' HD22 ' A' ' 70' ' ' LEU . 28.2 m-85 -71.09 -46.12 62.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.861 -0.608 . . . . 73.200000000000003 110.837 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -62.26 -45.74 91.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 74.200000000000003 110.934 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -64.1 -45.34 89.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 75.099999999999994 110.899 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.81 -40.97 90.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 42.100000000000001 111.075 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.723 ' O ' HD13 ' A' ' 29' ' ' LEU . 2.3 tm? -60.19 -38.48 83.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 74.400000000000006 110.892 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.1 mtt-85 -61.26 -53.18 60.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 74.200000000000003 110.92 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.702 HD13 ' HB3' ' A' ' 15' ' ' LYS . 3.8 mt -70.25 -31.89 69.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 74.200000000000003 110.868 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.619 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.2 m-85 -63.28 -46.45 86.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 52.399999999999999 110.878 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -60.31 -49.68 76.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 71.5 110.956 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.714 ' HB2' HD22 ' A' ' 12' ' ' LEU . 16.3 m-70 -60.29 -35.87 76.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 62.200000000000003 110.929 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.655 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -68.2 -52.38 35.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 23.0 111.101 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 32' ' ' TYR . 27.8 t -63.42 -40.61 89.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 72.200000000000003 111.075 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -60.46 -53.64 55.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 61.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -60.27 -31.56 70.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 64.200000000000003 110.922 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.647 ' CE1' ' HB1' ' A' ' 9' ' ' ALA . 4.8 m-85 -62.1 -52.55 63.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 74.200000000000003 110.902 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.668 ' HA ' HD12 ' A' ' 43' ' ' ILE . 41.0 mt -60.3 -31.49 70.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 71.400000000000006 110.941 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -66.5 -35.3 79.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 60.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.54 -29.75 63.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 72.5 111.154 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.668 HD12 ' HA ' ' A' ' 40' ' ' LEU . 21.6 mt -73.91 -31.91 32.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 73.400000000000006 111.138 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.5 pttt -85.2 -41.88 15.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 75.400000000000006 110.926 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -69.97 -74.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 74.200000000000003 110.898 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -128.51 107.63 9.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 71.5 110.725 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.451 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -115.83 139.2 50.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.131 -0.486 . . . . 53.0 111.355 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -60.48 -74.51 0.08 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.042 -0.526 . . . . 71.400000000000006 110.755 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.9 m -153.94 -177.41 6.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 62.299999999999997 110.945 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -59.83 -36.52 76.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.979 0.418 . . . . 51.5 111.165 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -64.77 -47.67 77.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.986 -0.552 . . . . 74.299999999999997 110.809 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.37 -34.74 68.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 71.0 111.238 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.616 ' HG2' HG23 ' A' ' 43' ' ' ILE . 38.2 mtmt -66.95 -31.55 72.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 75.299999999999997 110.967 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -76.11 -39.78 54.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 74.5 110.906 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.4 m -60.26 -40.87 91.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.07 -0.514 . . . . 63.399999999999999 110.903 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.2 mt -75.46 -38.49 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 116.368 -0.378 . . . . 64.200000000000003 110.966 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.694 ' O ' HG23 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -60.51 -56.24 23.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 75.099999999999994 110.891 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.25 -39.7 76.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 65.400000000000006 111.077 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -68.88 -30.32 68.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 43.399999999999999 110.829 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 57.4 m -74.73 -40.62 61.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 74.5 110.867 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.6 t -58.74 -43.65 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 72.099999999999994 111.105 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.93 -35.44 76.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 64.299999999999997 110.896 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.512 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 5.8 m-85 -68.34 -33.43 74.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 72.400000000000006 110.881 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.534 HD13 ' HB2' ' B' ' 118' ' ' LEU . 0.6 OUTLIER -67.4 -41.45 84.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 72.5 110.86 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.69 -43.76 97.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 75.200000000000003 110.869 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.3 mmm-85 -63.62 -33.06 74.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 71.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.618 ' HB1' HD21 ' A' ' 29' ' ' LEU . . . -60.12 -53.97 51.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 72.200000000000003 111.092 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -59.4 -31.11 68.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 64.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.1 tttm -67.58 -31.38 71.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 71.200000000000003 110.901 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.489 HD22 ' CD1' ' A' ' 25' ' ' TYR . 74.8 mt -78.86 -48.56 14.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 60.299999999999997 110.85 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -65.63 -33.15 75.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 64.200000000000003 110.815 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -78.25 -31.18 49.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 71.400000000000006 110.911 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.485 ' CE2' ' CE2' ' A' ' 25' ' ' TYR . 84.5 t80 -60.18 -62.06 2.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.069 -0.514 . . . . 64.0 110.729 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.454 HD11 ' HB2' ' A' ' 25' ' ' TYR . 35.6 mt -65.65 -41.08 92.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.384 -0.371 . . . . 74.099999999999994 110.859 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 74.5 111.22 179.787 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 115' ' ' GLU . . . . . 0.624 ' HA ' HD21 ' B' ' 118' ' ' LEU . 1.3 tt0 . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.823 0.344 . . . . 71.200000000000003 110.904 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.7 -29.99 67.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 72.299999999999997 110.947 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -58.89 -60.39 3.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 74.200000000000003 110.988 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.69 HD22 HG22 ' A' ' 61' ' ' VAL . 1.0 OUTLIER -71.9 -29.6 64.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 73.299999999999997 110.971 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 40.7 t -61.07 -45.97 92.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 63.200000000000003 110.885 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -69.23 -40.96 77.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 75.400000000000006 110.914 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -60.39 -42.0 94.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 71.299999999999997 110.886 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.42 -45.46 93.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 63.200000000000003 110.925 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.03 -36.44 77.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 75.0 111.071 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.05 -32.54 59.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 73.299999999999997 111.144 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.45 HD21 ' HB1' ' A' ' 67' ' ' ALA . 21.4 tp -65.66 -57.88 7.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 72.400000000000006 110.893 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 2.7 ptt180 -80.18 179.99 7.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 74.299999999999997 110.898 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.287 -0.863 . . . . 74.099999999999994 110.855 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 120.795 0.331 . . . . 70.400000000000006 110.817 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.31 -44.21 92.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 72.099999999999994 110.851 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -60.12 -31.39 70.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 43.399999999999999 110.959 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.562 ' O ' HD12 ' A' ' 12' ' ' LEU . 10.1 mmtt -77.96 -32.21 51.32 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.14 -0.482 . . . . 75.200000000000003 111.165 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.29 -37.69 77.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.046 -0.524 . . . . 53.299999999999997 111.099 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.7 mt -77.45 -47.49 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 53.5 111.129 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -60.0 -31.27 69.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 73.099999999999994 110.903 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.626 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 20.3 mt -73.11 -54.93 7.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 64.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.494 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 11.9 p -60.35 -38.21 76.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 63.100000000000001 111.129 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.9 m -59.32 -51.59 69.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 73.5 110.9 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -61.61 -33.7 74.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 75.400000000000006 110.869 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.26 -32.37 73.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 74.5 111.112 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.29 -49.93 65.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 74.400000000000006 110.93 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -59.94 -31.56 69.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 74.400000000000006 110.857 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.557 ' HG3' HD12 ' A' ' 31' ' ' LEU . 18.1 mm-40 -62.26 -54.12 45.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.293 -0.412 . . . . 74.400000000000006 110.887 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -57.17 -30.12 64.22 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.983 -0.553 . . . . 73.0 111.041 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.99 -26.85 48.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.531 -0.304 . . . . 65.099999999999994 110.99 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.11 28.87 3.37 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.116 -0.493 . . . . 44.0 111.307 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? 58.93 38.18 24.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.082 0.467 . . . . 70.299999999999997 111.039 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -123.0 80.46 1.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 75.400000000000006 111.05 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.623 ' CD1' HD22 ' A' ' 70' ' ' LEU . 31.4 m-85 -79.06 -40.51 31.09 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.063 -0.517 . . . . 74.5 110.928 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.61 -35.47 79.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.928 -0.578 . . . . 72.299999999999997 110.871 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -83.02 -31.03 27.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 52.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.63 -41.07 76.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 52.100000000000001 111.118 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 67' ' ' ALA . 3.2 tm? -61.27 -48.86 79.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 70.099999999999994 110.88 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -60.29 -39.41 86.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 73.299999999999997 110.913 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.557 HD12 ' HG3' ' A' ' 19' ' ' GLU . 16.6 mt -74.09 -36.35 64.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 73.299999999999997 110.902 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.444 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.5 m-85 -67.13 -42.06 85.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 71.5 110.921 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.454 ' CD ' HD23 ' B' ' 125' ' ' LEU . 12.7 mt-30 -60.15 -50.21 74.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 73.299999999999997 110.912 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.427 ' C ' HD13 ' A' ' 12' ' ' LEU . 14.2 m80 -62.42 -31.54 72.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 74.200000000000003 110.919 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.626 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -68.37 -59.48 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 74.200000000000003 111.098 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.5 t -59.69 -32.66 49.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 75.0 111.117 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -60.37 -43.46 96.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 63.399999999999999 110.911 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -70.3 -31.68 69.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 71.299999999999997 110.913 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -63.0 -51.87 65.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 72.400000000000006 110.894 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.718 ' HA ' HD12 ' A' ' 43' ' ' ILE . 63.1 mt -59.97 -37.5 79.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 74.400000000000006 110.939 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -69.57 -31.49 69.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 51.5 110.86 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.28 -31.35 60.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 51.100000000000001 111.126 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.788 HD11 HG21 ' A' ' 56' ' ' ILE . 6.0 mt -76.27 -45.26 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 74.5 111.061 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -60.24 -42.79 96.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 75.200000000000003 110.912 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -71.9 -56.68 5.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 72.099999999999994 110.898 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -137.16 179.03 6.63 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.233 -0.439 . . . . 71.5 111.111 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.17 179.41 1.55 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.403 -0.362 . . . . 63.200000000000003 110.976 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -106.63 -67.55 0.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.843 -0.617 . . . . 72.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -152.81 174.65 13.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 71.200000000000003 111.202 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -60.0 -43.17 95.37 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.469 -0.332 . . . . 72.400000000000006 110.945 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.6 tttm -60.65 -50.93 71.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.302 -0.408 . . . . 75.400000000000006 110.959 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.11 -44.0 96.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 41.100000000000001 111.279 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.438 ' HA ' HD12 ' A' ' 56' ' ' ILE . 3.8 mtmp? -60.18 -33.13 71.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.881 -0.6 . . . . 73.299999999999997 110.821 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -70.72 -36.69 73.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.02 0.438 . . . . 64.200000000000003 110.919 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.65 -31.6 72.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.022 -0.536 . . . . 70.200000000000003 110.733 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.788 HG21 HD11 ' A' ' 43' ' ' ILE . 22.9 mt -74.87 -37.13 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.141 -0.481 . . . . 75.5 110.973 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.637 ' O ' HG23 ' A' ' 61' ' ' VAL . 4.7 mpt_? -61.52 -56.33 21.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 64.099999999999994 110.807 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.89 -39.94 75.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 71.200000000000003 111.069 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -66.15 -31.43 72.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 64.400000000000006 110.785 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.427 ' O ' HD12 ' A' ' 64' ' ' LEU . 68.0 m -76.33 -46.97 25.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 63.0 110.915 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.728 HG22 ' HB3' ' B' ' 118' ' ' LEU . 21.6 t -58.87 -42.47 85.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 71.200000000000003 111.088 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -67.35 -35.66 79.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 63.100000000000001 110.875 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.494 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 2.4 m-85 -67.89 -40.44 83.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 62.200000000000003 110.892 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 60' ' ' CYS . 2.6 mp -60.35 -40.54 91.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 62.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.18 -51.53 69.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 73.400000000000006 110.863 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -65.13 -35.47 81.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 75.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.642 ' O ' HD23 ' A' ' 29' ' ' LEU . . . -59.31 -53.27 60.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 63.0 111.098 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -59.66 -31.16 69.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 54.5 110.902 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -66.36 -32.52 73.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 70.200000000000003 110.889 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.623 HD22 ' CD1' ' A' ' 25' ' ' TYR . 77.9 mt -73.19 -49.22 29.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 70.400000000000006 110.845 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.78 -31.37 69.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 73.400000000000006 110.904 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -82.87 -30.92 28.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 72.200000000000003 110.868 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.499 ' CE2' ' CE2' ' A' ' 25' ' ' TYR . 75.2 t80 -60.02 -36.84 78.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 73.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.5 mt -83.53 -40.08 19.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.338 -0.392 . . . . 72.099999999999994 110.919 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 116.26 -0.427 . . . . 73.400000000000006 110.76 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 115' ' ' GLU . . . . . 0.63 ' HA ' HD21 ' B' ' 118' ' ' LEU . 2.0 tm-20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.808 0.337 . . . . 72.099999999999994 110.927 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -69.96 -29.88 67.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 53.399999999999999 110.975 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -59.07 -60.4 3.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 64.400000000000006 110.978 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.728 ' HB3' HG22 ' A' ' 61' ' ' VAL . 0.9 OUTLIER -70.53 -30.29 67.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 71.5 110.947 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 37.9 m -66.24 -37.37 85.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 54.5 110.908 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 12.3 ttt85 -69.26 -43.46 73.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 72.200000000000003 110.941 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -65.5 -35.23 80.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 73.099999999999994 110.882 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.491 HD13 ' CD1' ' A' ' 40' ' ' LEU . 2.4 tt -60.24 -49.13 78.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 74.200000000000003 110.918 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.14 -37.36 79.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 43.200000000000003 111.129 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.74 -31.39 69.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 63.200000000000003 111.089 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.454 HD23 ' CD ' ' A' ' 33' ' ' GLN . 1.3 tp -61.09 -53.8 52.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 73.200000000000003 110.863 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -40.45 73.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 75.400000000000006 110.916 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 29.7 t30 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.238 -0.887 . . . . 75.0 110.895 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.784 0.326 . . . . 74.200000000000003 110.89 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.17 -50.23 64.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 70.5 110.949 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.54 -41.82 95.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 73.099999999999994 110.791 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -69.67 -33.28 72.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 75.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.435 ' HB1' ' CE1' ' A' ' 39' ' ' PHE . . . -60.13 -51.03 71.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 64.299999999999997 111.098 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.5 mt -66.16 -48.02 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 65.099999999999994 111.066 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.42 -31.36 69.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 74.099999999999994 110.891 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.619 HD22 ' CB ' ' A' ' 34' ' ' HIS . 13.7 mt -71.55 -52.34 18.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 71.400000000000006 110.885 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.43 HG21 ' CE2' ' A' ' 63' ' ' TYR . 11.6 p -65.15 -34.19 68.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 42.100000000000001 111.092 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.5 m -59.8 -50.49 73.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 74.400000000000006 110.856 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.71 ' HB3' HD13 ' A' ' 31' ' ' LEU . 3.4 mmmt -60.06 -35.38 75.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 70.400000000000006 110.856 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.473 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -65.01 -39.9 94.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 71.299999999999997 111.096 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -41.2 93.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 61.299999999999997 110.736 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -63.63 -35.67 81.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.026 0.441 . . . . 74.099999999999994 110.898 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -76.24 -43.89 40.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.94 -0.573 . . . . 64.200000000000003 110.816 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.515 ' OD1' HD11 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -61.92 -31.18 71.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.303 -0.408 . . . . 71.0 111.175 179.675 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.0 -21.24 27.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 63.399999999999999 111.348 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.18 28.59 3.15 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.976 -0.556 . . . . 65.400000000000006 111.394 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.9 mttt 58.78 39.17 24.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 74.099999999999994 110.812 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -126.04 77.97 1.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.031 0.443 . . . . 74.200000000000003 110.864 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.448 ' CD1' HD22 ' A' ' 70' ' ' LEU . 20.2 m-85 -73.32 -31.45 64.01 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.951 -0.568 . . . . 73.299999999999997 110.863 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' N ' HD11 ' A' ' 74' ' ' LEU . 5.0 tt0 -62.11 -60.06 4.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.452 -0.34 . . . . 72.5 110.94 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -36.03 82.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 74.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.53 -40.72 88.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 34.5 111.147 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.703 ' CD2' ' HB1' ' A' ' 67' ' ' ALA . 3.1 tm? -64.85 -39.3 93.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 74.5 110.92 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -60.05 -54.55 44.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 74.400000000000006 110.852 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.71 HD13 ' HB3' ' A' ' 15' ' ' LYS . 9.1 mt -67.96 -32.09 72.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 74.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.612 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.6 m-85 -64.29 -44.18 92.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 62.5 110.872 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.667 ' HG2' HD23 ' B' ' 125' ' ' LEU . 10.9 mt-30 -60.16 -49.3 78.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 75.099999999999994 110.894 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.619 ' CB ' HD22 ' A' ' 12' ' ' LEU . 69.6 m-70 -60.16 -41.73 93.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 73.400000000000006 110.889 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.537 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -60.02 -51.66 68.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 63.0 111.089 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 32' ' ' TYR . 28.4 t -63.23 -41.07 91.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 55.399999999999999 111.09 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -60.91 -48.86 79.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 75.099999999999994 110.921 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -60.05 -31.47 70.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 62.200000000000003 110.887 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.435 ' CE1' ' HB1' ' A' ' 9' ' ' ALA . 2.8 m-85 -68.74 -51.21 43.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 61.399999999999999 110.923 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.449 HD11 HD12 ' B' ' 122' ' ' LEU . 22.5 mt -60.26 -32.01 70.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 72.400000000000006 110.879 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.402 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 11.5 m80 -72.23 -31.58 65.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 75.200000000000003 110.853 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.78 -30.51 67.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 73.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.4 mt -76.14 -48.69 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 74.400000000000006 111.109 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.27 -47.1 87.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 70.200000000000003 110.956 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.402 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 19.2 m-85 -68.5 -74.16 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 72.299999999999997 110.895 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -131.3 101.06 5.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 70.099999999999994 110.928 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.53 144.65 25.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 41.399999999999999 111.069 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.441 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 1.1 t-80 -61.77 -68.15 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.401 -0.363 . . . . 71.0 110.666 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.4 m -164.34 -175.98 4.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.36 -0.382 . . . . 73.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -62.57 -51.22 68.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.967 -0.56 . . . . 74.299999999999997 110.782 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -60.2 -49.95 75.59 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.858 0.361 . . . . 73.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.441 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -60.13 -36.86 78.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 45.299999999999997 110.997 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt -60.64 -31.72 70.91 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.157 -0.474 . . . . 72.200000000000003 110.801 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -72.12 -41.98 66.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.317 -0.401 . . . . 71.200000000000003 110.924 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.5 m -60.15 -44.91 94.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 42.399999999999999 110.937 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 30.1 mt -72.0 -31.29 39.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.986 -0.552 . . . . 64.299999999999997 111.004 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.883 ' O ' HG23 ' A' ' 61' ' ' VAL . 11.4 mtp180 -65.54 -52.7 50.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 75.299999999999997 110.879 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.87 -37.83 77.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 65.200000000000003 111.105 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -70.31 -32.9 70.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 73.099999999999994 110.919 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 98.3 m -79.26 -45.26 20.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 74.200000000000003 110.93 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.883 HG23 ' O ' ' A' ' 57' ' ' ARG . 27.3 t -59.25 -38.77 76.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 63.299999999999997 111.075 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.34 -39.27 65.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 75.099999999999994 110.884 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.43 ' CE2' HG21 ' A' ' 13' ' ' VAL . 2.4 m-85 -69.4 -33.02 72.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 75.200000000000003 110.867 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.8 HD13 ' HB2' ' B' ' 118' ' ' LEU . 0.6 OUTLIER -67.27 -41.46 85.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 74.200000000000003 110.896 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -60.28 -48.82 80.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 61.299999999999997 110.87 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.3 mmm-85 -59.54 -43.9 93.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 75.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.703 ' HB1' ' CD2' ' A' ' 29' ' ' LEU . . . -55.95 -45.87 78.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 70.099999999999994 111.15 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -57.99 -36.08 72.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 54.100000000000001 110.749 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.3 tttp -77.51 -29.17 52.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.086 -0.506 . . . . 74.299999999999997 111.075 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.515 HD11 ' OD1' ' A' ' 20' ' ' ASP . 30.6 mt -63.53 -52.16 62.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.319 -0.4 . . . . 71.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -32.9 73.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 72.0 110.812 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -74.38 -30.37 61.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 73.099999999999994 110.946 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -64.93 -52.63 55.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 72.099999999999994 110.89 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.446 HD11 ' N ' ' A' ' 26' ' ' GLU . 2.5 mt -59.02 -56.48 21.67 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.164 -0.471 . . . . 63.5 111.065 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.7 ptt180 . . . . . 0 C--N 1.321 -0.664 0 CA-C-N 116.371 -0.377 . . . . 74.299999999999997 110.993 -179.924 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 115' ' ' GLU . . . . . 0.609 ' HA ' HD21 ' B' ' 118' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.766 0.317 . . . . 54.200000000000003 110.883 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -69.91 -29.88 67.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 63.100000000000001 111.027 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -59.17 -60.4 3.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 65.5 111.005 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.8 ' HB2' HD13 ' A' ' 64' ' ' LEU . 1.0 OUTLIER -72.19 -29.49 64.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 73.400000000000006 110.93 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 34.2 t -60.17 -39.24 85.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.404 . . . . 61.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 11.5 mtt85 -76.1 -38.7 56.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 71.400000000000006 110.907 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -63.17 -34.38 77.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 73.200000000000003 110.903 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.549 ' HB2' HD11 ' A' ' 64' ' ' LEU . 1.2 tt -72.59 -41.23 65.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 53.200000000000003 110.919 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.22 -34.16 73.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 61.299999999999997 111.066 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -85.01 -31.21 23.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 43.399999999999999 111.071 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.667 HD23 ' HG2' ' A' ' 33' ' ' GLN . 10.3 tp -60.55 -50.49 73.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 65.299999999999997 110.898 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.73 146.13 46.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 51.299999999999997 110.945 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 5.8 t30 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.218 -0.896 . . . . 71.400000000000006 110.897 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.2 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.832 0.348 . . . . 71.5 110.868 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.403 ' O ' HD12 ' A' ' 10' ' ' ILE . 4.0 mm? -62.18 -49.67 74.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 73.5 111.013 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -60.61 -30.68 69.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.257 -0.429 . . . . 52.399999999999999 111.261 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.1 -42.13 19.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.024 -0.535 . . . . 71.0 110.798 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.477 ' HB2' ' HB3' ' A' ' 38' ' ' TYR . . . -59.57 -30.55 68.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 64.299999999999997 111.1 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.403 HD12 ' O ' ' A' ' 6' ' ' LEU . 6.9 mt -80.28 -45.62 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 71.099999999999994 111.089 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -59.88 -31.13 69.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 72.5 110.966 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.692 HD13 HD23 ' A' ' 31' ' ' LEU . 3.5 mm? -74.41 -55.92 5.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 75.299999999999997 110.964 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.752 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 12.6 p -59.15 -38.61 75.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 70.099999999999994 111.132 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.5 m -59.52 -50.26 74.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 63.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.663 ' HB3' HD13 ' A' ' 31' ' ' LEU . 5.5 mmtt -61.65 -31.59 71.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 73.099999999999994 110.836 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.447 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -69.75 -39.31 76.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 51.299999999999997 111.098 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.24 -44.42 95.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 61.299999999999997 110.827 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -63.27 -40.97 98.88 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.478 -0.328 . . . . 73.099999999999994 110.638 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -59.21 -51.46 69.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.895 0.378 . . . . 75.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -57.43 -29.57 64.27 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.967 -0.561 . . . . 75.5 111.186 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -82.05 -26.31 33.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 71.200000000000003 111.044 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.26 29.48 3.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.371 -0.377 . . . . 65.0 111.088 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.7 mttm 58.64 36.06 24.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.096 0.474 . . . . 64.299999999999997 110.909 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -118.42 78.76 1.29 Allowed 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 120.96 0.41 . . . . 71.5 110.881 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.498 ' CE2' ' CE1' ' A' ' 73' ' ' TYR . 23.3 m-85 -76.3 -38.54 55.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.937 -0.574 . . . . 70.5 110.824 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.577 ' CA ' HD11 ' A' ' 74' ' ' LEU . 16.8 pt-20 -61.53 -38.23 86.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.839 0.352 . . . . 73.0 110.836 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.02 -37.29 24.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 71.099999999999994 110.906 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.758 ' HB3' HD23 ' A' ' 70' ' ' LEU . . . -59.75 -47.08 87.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 73.0 111.098 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 29' ' ' LEU . 1.6 tt -60.37 -39.36 86.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 60.399999999999999 110.906 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -60.09 -58.87 6.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 74.400000000000006 110.943 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.692 HD23 HD13 ' A' ' 12' ' ' LEU . 7.5 mt -62.19 -31.53 72.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 72.5 110.91 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.485 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.6 m-85 -66.6 -40.16 88.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 73.400000000000006 110.913 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -60.24 -55.38 34.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 62.399999999999999 110.914 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -60.24 -33.48 72.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 63.299999999999997 110.934 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.8 -55.42 34.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 64.400000000000006 111.086 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.5 t -59.87 -34.91 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 72.099999999999994 111.113 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -60.25 -52.49 65.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 74.099999999999994 110.917 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.477 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 9.9 m-85 -60.49 -35.82 76.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 65.299999999999997 110.895 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -66.82 -39.84 87.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 75.400000000000006 110.86 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.902 ' HA ' HD12 ' A' ' 43' ' ' ILE . 61.5 mt -60.32 -36.97 79.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 61.100000000000001 110.888 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.31 -31.47 67.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 54.100000000000001 110.955 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.82 -31.04 67.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 71.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.902 HD12 ' HA ' ' A' ' 40' ' ' LEU . 6.9 mt -72.12 -50.78 34.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 64.099999999999994 111.063 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -39.14 87.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 75.400000000000006 110.922 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -94.22 -74.61 0.53 Allowed 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.211 -0.45 . . . . 75.099999999999994 110.807 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.98 -169.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 70.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 61.09 157.94 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.206 -0.452 . . . . 54.100000000000001 111.157 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 51.3 m80 -144.56 -74.74 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.951 0.405 . . . . 72.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.3 p -62.07 153.42 29.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.032 -0.531 . . . . 73.299999999999997 110.968 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -59.79 -32.63 70.79 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.268 0.556 . . . . 63.100000000000001 111.226 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.21 -32.93 71.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.992 -0.549 . . . . 72.200000000000003 110.882 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.42 ' O ' HD12 ' A' ' 56' ' ' ILE . . . -77.41 -37.7 51.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 43.200000000000003 111.034 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.57 ' HG2' HG23 ' A' ' 43' ' ' ILE . 7.4 mtmt -75.72 -31.6 59.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 62.100000000000001 110.914 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -66.66 -49.46 66.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.297 -0.411 . . . . 73.099999999999994 110.855 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.32 -44.51 95.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 73.5 110.772 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.42 HD12 ' O ' ' A' ' 52' ' ' ALA . 18.0 mt -71.83 -42.21 69.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.085 -0.507 . . . . 70.299999999999997 111.044 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.708 ' O ' HG23 ' A' ' 61' ' ' VAL . 34.4 ttm180 -60.39 -54.45 45.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.316 -0.402 . . . . 71.200000000000003 110.874 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.85 -35.75 66.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 32.399999999999999 110.95 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 42.7 mttt -73.55 -31.52 63.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.061 -0.518 . . . . 53.299999999999997 110.69 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 92.0 m -74.79 -37.68 62.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 71.400000000000006 110.829 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 57' ' ' ARG . 30.0 t -62.46 -44.29 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 72.0 110.988 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -67.29 -34.04 76.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 72.299999999999997 110.876 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.752 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 4.8 m-85 -64.22 -37.85 88.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 73.0 110.851 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.59 HD21 ' CG ' ' B' ' 122' ' ' LEU . 11.5 mt -67.64 -38.65 84.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 74.400000000000006 110.826 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.14 -38.32 82.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 52.0 110.848 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -71.12 -31.58 67.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 75.099999999999994 110.931 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.509 ' HB1' HD21 ' B' ' 125' ' ' LEU . . . -61.52 -58.02 9.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 75.099999999999994 111.124 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.06 -31.87 70.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 73.5 110.911 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 tpmt? -60.73 -52.83 63.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 73.099999999999994 110.895 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.758 HD23 ' HB3' ' A' ' 28' ' ' ALA . 8.8 mp -62.48 -33.85 75.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 72.400000000000006 110.859 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.574 ' HB2' HD11 ' A' ' 29' ' ' LEU . 3.1 tttp -62.31 -47.98 81.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 72.400000000000006 110.863 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -61.3 -31.44 71.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 72.299999999999997 110.853 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.498 ' CE1' ' CE2' ' A' ' 25' ' ' TYR . 38.7 t80 -62.59 -44.13 97.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.044 -0.525 . . . . 72.099999999999994 111.04 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.577 HD11 ' CA ' ' A' ' 26' ' ' GLU . 4.3 mt -75.44 -47.91 25.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 63.5 110.85 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 120.975 0.417 . . . . 74.099999999999994 111.098 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 115' ' ' GLU . . . . . 0.607 ' HA ' HD21 ' B' ' 118' ' ' LEU . 2.8 mt-10 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.858 0.361 . . . . 71.200000000000003 110.944 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -71.52 -29.75 65.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 72.5 110.944 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -58.71 -60.4 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 71.400000000000006 111.008 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.607 HD21 ' HA ' ' B' ' 115' ' ' GLU . 1.1 pt? -71.5 -29.51 64.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 70.200000000000003 110.963 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 42.6 t -63.51 -37.36 87.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 71.099999999999994 110.868 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -44.16 62.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 74.400000000000006 110.938 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -60.4 -31.84 70.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 72.400000000000006 110.894 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.776 HD13 HD11 ' A' ' 40' ' ' LEU . 2.4 tt -73.81 -36.64 65.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 71.200000000000003 110.896 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.51 -42.77 99.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 75.0 111.11 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -70.47 -31.55 68.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 64.5 111.116 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.509 HD21 ' HB1' ' A' ' 67' ' ' ALA . 3.8 tp -60.44 -49.13 78.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 72.200000000000003 110.893 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 18.2 mtm180 -60.94 118.36 6.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 70.400000000000006 110.866 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 7.9 p30 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.184 -0.912 . . . . 54.399999999999999 110.852 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 120.811 0.339 . . . . 72.099999999999994 110.844 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.79 -43.32 99.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 73.299999999999997 110.916 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -36.03 77.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 74.299999999999997 111.045 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -79.08 -31.62 44.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 71.099999999999994 110.872 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.86 -39.22 93.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 54.100000000000001 111.069 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.4 mt -78.2 -45.5 26.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 64.5 111.122 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -59.13 -31.59 69.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 73.5 110.916 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.785 HD22 ' HB3' ' A' ' 34' ' ' HIS . 21.4 mt -72.14 -55.95 6.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 70.400000000000006 110.846 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.479 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 11.9 p -60.1 -35.05 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 71.5 111.017 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.0 m -59.96 -47.95 83.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 75.099999999999994 110.823 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -61.2 -31.83 71.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 72.099999999999994 110.859 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.593 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -69.2 -39.19 78.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 64.200000000000003 111.092 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.38 -47.27 86.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 72.200000000000003 110.757 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -60.19 -38.24 82.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 72.299999999999997 110.753 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.42 -50.15 48.48 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.923 0.392 . . . . 71.5 110.811 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -57.9 -33.68 69.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.996 -0.547 . . . . 52.0 110.94 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -88.08 -26.27 22.61 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 116.109 -0.496 . . . . 74.099999999999994 110.945 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.37 30.44 2.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.733 0.301 . . . . 51.299999999999997 111.165 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt 59.15 70.31 0.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.305 0.574 . . . . 54.399999999999999 111.061 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -158.7 73.46 0.63 Allowed 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.085 -0.507 . . . . 72.299999999999997 110.689 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -71.66 -36.2 70.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.845 0.355 . . . . 75.299999999999997 110.879 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.436 ' HB3' HD13 ' A' ' 74' ' ' LEU . 3.3 pt-20 -68.25 -36.45 79.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.97 -0.559 . . . . 65.099999999999994 110.845 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -83.05 -31.18 27.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 74.299999999999997 110.933 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.0 -30.7 68.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 63.100000000000001 111.142 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.537 HD21 ' HB1' ' A' ' 67' ' ' ALA . 2.9 tm? -70.12 -47.81 60.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 73.400000000000006 110.891 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -59.54 -37.02 77.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 74.200000000000003 110.919 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.593 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 3.4 mm? -76.01 -31.76 59.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 61.200000000000003 110.884 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.835 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.9 m-85 -72.65 -42.84 63.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 75.299999999999997 110.91 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -60.29 -51.55 69.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 74.5 110.885 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.785 ' HB3' HD22 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -62.07 -31.57 72.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 72.400000000000006 110.932 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.418 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -74.58 -49.92 19.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 73.0 111.082 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.835 HG23 ' O ' ' A' ' 32' ' ' TYR . 28.6 t -62.65 -39.43 84.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 73.299999999999997 111.059 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.25 -53.09 61.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 73.200000000000003 110.927 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -60.74 -31.55 70.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 75.200000000000003 110.907 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -63.69 -51.97 62.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 75.400000000000006 110.854 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.475 HD11 HD12 ' B' ' 122' ' ' LEU . 62.2 mt -60.04 -31.4 69.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 71.099999999999994 110.907 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -71.9 -31.11 66.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 73.400000000000006 110.869 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.09 -30.64 63.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 64.400000000000006 111.181 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.484 HD11 HG22 ' A' ' 56' ' ' ILE . 22.3 mt -76.61 -46.95 30.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 61.100000000000001 111.127 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -60.17 -44.84 94.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 74.099999999999994 110.911 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -67.17 -43.98 80.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 63.399999999999999 110.893 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -153.45 166.79 31.59 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.188 -0.46 . . . . 64.5 111.211 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.459 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -162.78 137.39 6.53 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.881 0.372 . . . . 75.200000000000003 111.379 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -60.6 -54.27 47.41 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 116.15 -0.477 . . . . 73.200000000000003 110.568 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -172.24 -177.26 1.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.884 0.373 . . . . 64.400000000000006 110.915 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -61.2 -51.35 69.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.951 -0.568 . . . . 73.200000000000003 110.645 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -60.61 -45.16 95.03 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.826 0.346 . . . . 75.400000000000006 111.045 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.68 -37.32 87.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 74.200000000000003 111.07 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.459 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 15.1 mtmt -63.83 -31.71 72.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.922 -0.581 . . . . 73.099999999999994 110.973 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.33 -44.68 71.15 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 115.914 -0.584 . . . . 74.099999999999994 110.942 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.58 -40.64 92.46 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.972 -0.558 . . . . 71.299999999999997 110.902 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.484 HG22 HD11 ' A' ' 43' ' ' ILE . 19.9 mt -71.36 -41.34 73.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 74.099999999999994 111.033 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.672 ' O ' HG23 ' A' ' 61' ' ' VAL . 35.3 ttm180 -69.08 -46.73 67.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 74.5 110.844 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.14 -36.28 68.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 65.5 111.032 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.4 mttt -72.45 -30.39 64.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.029 -0.532 . . . . 71.299999999999997 110.773 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 79.5 m -74.63 -37.08 62.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 62.5 110.846 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.81 HG22 HD22 ' B' ' 118' ' ' LEU . 21.6 t -61.85 -51.08 76.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 71.299999999999997 111.089 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -63.17 -33.52 75.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 75.200000000000003 110.894 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.479 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 2.5 m-85 -67.83 -32.36 72.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 75.299999999999997 110.877 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.5 -46.7 75.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 54.399999999999999 110.838 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.51 -35.13 75.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 65.099999999999994 110.911 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -71.06 -39.06 72.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 74.400000000000006 110.91 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.597 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -59.97 -57.86 11.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 111.058 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.489 ' HB3' HD12 ' B' ' 125' ' ' LEU . 0.5 OUTLIER -57.84 -30.71 65.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 73.0 110.955 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -69.99 -30.72 68.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 63.399999999999999 110.953 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 67' ' ' ALA . 7.4 mt -75.81 -49.44 18.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 74.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -61.25 -31.69 71.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 65.400000000000006 110.88 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -78.29 -31.6 49.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 72.200000000000003 110.878 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -60.36 -43.91 96.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.948 -0.569 . . . . 70.400000000000006 110.822 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.436 HD13 ' HB3' ' A' ' 26' ' ' GLU . 7.5 mt -78.28 -40.46 36.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.084 -0.507 . . . . 74.200000000000003 110.808 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.183 -0.462 . . . . 34.399999999999999 110.841 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.857 0.361 . . . . 65.0 110.947 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -80.03 -25.45 40.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 73.299999999999997 111.118 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.61 -60.37 3.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.376 -0.374 . . . . 64.5 111.06 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.81 HD22 HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -72.98 -31.05 64.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 72.299999999999997 110.984 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 42.6 t -61.74 -39.94 93.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 52.5 110.919 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.84 -46.33 62.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 62.5 110.92 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -60.91 -37.59 82.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 71.400000000000006 110.918 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.475 HD12 HD11 ' A' ' 40' ' ' LEU . 1.6 tt -60.35 -49.38 77.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 54.200000000000003 110.885 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.95 -31.23 69.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 72.200000000000003 111.079 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -81.31 -35.7 30.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 52.399999999999999 111.117 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.489 HD12 ' HB3' ' A' ' 68' ' ' GLU . 9.8 tt -60.39 -43.94 96.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 71.200000000000003 110.88 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 44.5 ptt85 -89.38 154.29 20.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 72.200000000000003 110.935 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 6.4 m120 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.248 -0.882 . . . . 74.099999999999994 110.877 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.86 0.362 . . . . 72.400000000000006 110.84 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.472 ' CD1' HD11 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -60.5 -46.1 91.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 63.299999999999997 110.876 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -59.73 -32.64 70.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 71.299999999999997 111.127 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -81.34 -31.47 33.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.069 -0.514 . . . . 73.299999999999997 111.366 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.855 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -64.0 -43.54 95.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.047 -0.524 . . . . 61.399999999999999 111.076 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.472 HD11 ' CD1' ' A' ' 6' ' ' LEU . 22.5 mt -75.12 -37.86 41.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 64.400000000000006 111.069 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.27 -41.8 94.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 74.299999999999997 111.258 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.8 mt -66.85 -43.14 84.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 71.200000000000003 110.87 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 9' ' ' ALA . 32.3 t -61.73 -43.89 97.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 72.200000000000003 111.098 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.5 m -57.35 -39.97 77.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 35.100000000000001 110.989 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.552 ' HB3' HD13 ' A' ' 31' ' ' LEU . 24.0 mttt -70.96 -28.41 64.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 63.399999999999999 110.996 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.496 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -77.89 -38.2 46.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 64.400000000000006 111.099 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -49.55 77.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 74.400000000000006 110.731 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.69 -31.54 70.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 71.099999999999994 110.742 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.47 -61.46 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.947 0.403 . . . . 71.400000000000006 110.796 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.618 ' OD2' HD21 ' A' ' 70' ' ' LEU . 11.5 t0 -57.87 -30.45 65.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.966 -0.561 . . . . 75.400000000000006 111.045 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -68.72 -29.71 68.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.872 0.368 . . . . 73.0 110.962 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.13 30.79 2.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.042 -0.526 . . . . 73.0 111.07 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.5 mttm 59.29 70.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.204 0.526 . . . . 74.5 110.932 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -156.02 73.49 0.82 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.139 -0.482 . . . . 75.400000000000006 110.955 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.465 ' HB3' HD22 ' A' ' 70' ' ' LEU . 9.5 m-85 -69.08 -31.17 69.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.838 -0.619 . . . . 74.200000000000003 110.917 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -57.42 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.389 -0.369 . . . . 72.200000000000003 110.875 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -61.24 -40.9 95.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 54.399999999999999 110.919 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.41 90.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 75.400000000000006 111.094 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.78 ' O ' HD13 ' A' ' 29' ' ' LEU . 2.4 tm? -60.45 -33.82 73.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 71.200000000000003 110.86 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -65.05 -58.74 5.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 73.200000000000003 110.885 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.552 HD13 ' HB3' ' A' ' 15' ' ' LYS . 5.6 mt -62.85 -33.3 74.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 72.299999999999997 110.895 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.496 ' CD2' ' HB1' ' A' ' 16' ' ' ALA . 2.3 m-85 -64.01 -41.44 97.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 74.200000000000003 110.927 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -60.1 -51.59 68.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 63.399999999999999 110.93 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -60.05 -38.07 81.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 73.299999999999997 110.902 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.418 ' HB1' HG22 ' A' ' 13' ' ' VAL . . . -59.83 -59.6 5.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 75.400000000000006 111.093 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.5 t -59.66 -37.4 70.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 65.0 111.16 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -60.17 -38.5 83.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 63.5 110.891 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -75.49 -31.46 60.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 63.200000000000003 110.894 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.473 ' O ' HD12 ' A' ' 43' ' ' ILE . 5.1 m-85 -65.04 -49.58 69.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 73.400000000000006 110.841 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.453 ' CD1' HD13 ' B' ' 122' ' ' LEU . 69.2 mt -60.36 -48.1 83.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.425 . . . . 64.400000000000006 110.862 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -60.22 -31.53 70.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 61.399999999999999 110.912 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.44 -53.47 8.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 72.400000000000006 111.092 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.566 HD11 ' CG2' ' A' ' 56' ' ' ILE . 4.6 mt -64.46 -34.07 67.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 64.299999999999997 111.068 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -72.56 -36.56 68.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 72.400000000000006 110.917 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -81.75 -31.75 31.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 72.099999999999994 110.911 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -160.28 142.07 12.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 70.400000000000006 110.683 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.2 151.61 37.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.009 -0.541 . . . . 75.099999999999994 111.184 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -70.2 -61.63 1.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 70.200000000000003 110.777 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.6 m -156.2 178.82 9.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.368 -0.378 . . . . 33.5 110.934 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.48 -48.94 79.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 73.099999999999994 110.989 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.5 tptt -60.38 -48.89 79.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.202 -0.454 . . . . 52.5 110.822 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.596 ' O ' HD12 ' A' ' 56' ' ' ILE . . . -61.08 -34.72 75.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.326 -0.397 . . . . 43.200000000000003 110.8 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -65.43 -31.95 73.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.953 -0.567 . . . . 74.200000000000003 110.718 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -72.6 -43.2 63.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.105 0.479 . . . . 75.200000000000003 110.929 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.3 m -60.44 -52.2 66.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.026 -0.534 . . . . 71.5 110.872 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.596 HD12 ' O ' ' A' ' 52' ' ' ALA . 4.5 mt -62.09 -49.51 83.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.096 -0.502 . . . . 62.0 111.069 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.672 ' O ' HG23 ' A' ' 61' ' ' VAL . 7.4 ttp180 -60.37 -41.51 93.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 75.5 110.869 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.58 -35.3 68.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 74.299999999999997 111.02 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 16.8 mttt -72.63 -31.32 65.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 74.299999999999997 110.745 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 64.0 m -73.8 -37.67 64.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 73.5 110.875 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.787 HG22 HD22 ' B' ' 118' ' ' LEU . 18.8 t -61.42 -50.8 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 63.299999999999997 111.077 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -64.07 -31.36 72.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 64.200000000000003 110.866 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 59' ' ' LYS . 2.2 m-85 -69.28 -31.74 70.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 75.200000000000003 110.925 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.4 mt -69.74 -40.82 75.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 72.400000000000006 110.905 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -60.12 -49.76 76.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 64.099999999999994 110.933 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -65.08 -34.44 78.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 74.200000000000003 110.879 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.599 ' HB1' HD21 ' A' ' 29' ' ' LEU . . . -60.61 -52.97 62.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 73.5 111.163 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -59.56 -31.12 69.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 71.200000000000003 110.929 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.12 -31.56 69.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 60.0 110.93 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.763 ' O ' HD12 ' A' ' 74' ' ' LEU . 48.9 mt -73.17 -55.02 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 72.299999999999997 110.899 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.9 tttm -58.06 -31.62 67.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 63.399999999999999 110.91 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -75.13 -30.41 60.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 75.099999999999994 110.862 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -61.94 -57.3 12.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.926 -0.579 . . . . 74.200000000000003 110.882 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.763 HD12 ' O ' ' A' ' 70' ' ' LEU . 1.7 mp -68.67 -30.7 69.44 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.1 -0.5 . . . . 72.200000000000003 110.643 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.5 ttt85 . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 116.472 -0.331 . . . . 75.0 110.944 179.833 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 115' ' ' GLU . . . . . 0.419 ' HA ' HD21 ' B' ' 118' ' ' LEU . 2.1 tt0 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.875 0.369 . . . . 63.399999999999999 110.951 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -76.52 -43.36 39.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 70.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -57.22 13.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 55.399999999999999 110.887 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.787 HD22 HG22 ' A' ' 61' ' ' VAL . 3.8 pp -60.06 -37.26 79.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 73.5 110.901 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 11.1 t -64.73 -37.68 88.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 65.299999999999997 110.895 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.57 -43.46 97.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 72.299999999999997 110.859 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -63.16 -35.13 79.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 71.299999999999997 110.898 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.453 HD13 ' CD1' ' A' ' 40' ' ' LEU . 8.8 tt -63.0 -46.31 88.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 71.099999999999994 110.9 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.02 -48.77 80.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 34.5 111.12 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.32 -31.3 70.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 62.200000000000003 111.095 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 6.8 tp -65.52 -44.75 85.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 70.299999999999997 110.917 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 12.2 mtm105 -81.06 115.42 20.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 73.5 110.899 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 53.3 t30 . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.257 -0.878 . . . . 51.100000000000001 110.929 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.875 0.369 . . . . 62.399999999999999 110.962 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.32 -47.11 80.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 70.099999999999994 110.911 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -60.78 -47.61 85.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.272 -0.422 . . . . 73.400000000000006 110.951 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -62.52 -31.84 72.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 74.099999999999994 111.1 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.772 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -65.66 -51.58 58.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 65.299999999999997 111.117 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 mt -62.59 -39.02 83.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.46 . . . . 61.399999999999999 111.072 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -59.73 -44.43 93.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 61.100000000000001 110.862 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.0 mt -66.49 -39.81 88.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 74.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 9' ' ' ALA . 32.6 t -65.94 -38.7 82.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 71.400000000000006 111.084 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.0 m -57.08 -52.96 63.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 72.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.3 mttp -62.6 -27.15 69.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 64.400000000000006 110.974 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.448 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -76.15 -37.87 57.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.405 . . . . 64.099999999999994 111.071 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.416 HG22 ' NZ ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -60.26 -42.8 96.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 52.399999999999999 110.695 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -67.69 -41.17 84.05 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 116.439 -0.346 . . . . 60.200000000000003 110.598 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.446 ' HB3' ' HB2' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -59.04 -53.94 52.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.571 -0.286 . . . . 60.299999999999997 110.909 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -58.06 -29.68 65.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.493 -0.321 . . . . 54.5 111.012 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.416 ' NZ ' HG22 ' A' ' 17' ' ' THR . 16.8 mttt -83.76 -25.4 30.54 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.446 -0.343 . . . . 44.299999999999997 111.024 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.72 28.77 3.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.331 -0.395 . . . . 71.400000000000006 111.308 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.0 mttm 58.91 38.01 24.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.331 -0.395 . . . . 71.400000000000006 111.034 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -121.24 77.73 1.35 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 60.200000000000003 110.877 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.432 ' HA ' HD23 ' A' ' 70' ' ' LEU . 32.7 m-85 -74.38 -31.99 62.58 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.19 -0.459 . . . . 72.299999999999997 110.931 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -62.54 -60.0 4.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.358 . . . . 65.400000000000006 110.893 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -64.58 -36.68 85.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 71.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.446 ' HB2' ' HB3' ' A' ' 19' ' ' GLU . . . -59.54 -48.8 80.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 74.299999999999997 111.142 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.661 ' O ' HD13 ' A' ' 29' ' ' LEU . 2.8 tm? -60.08 -40.98 91.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 64.200000000000003 110.872 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -60.03 -60.35 3.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 72.400000000000006 110.904 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.0 mt -61.16 -31.37 71.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 71.299999999999997 110.925 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.472 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.3 m-85 -66.71 -40.13 88.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 73.5 110.864 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -60.04 -54.53 44.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 73.200000000000003 110.936 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -60.37 -33.96 73.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 71.299999999999997 110.868 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.472 ' HB1' HG22 ' A' ' 13' ' ' VAL . . . -63.12 -55.77 22.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 65.0 111.103 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 32' ' ' TYR . 28.4 t -63.26 -36.68 77.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 74.299999999999997 111.04 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -60.03 -37.93 81.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 72.099999999999994 110.904 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -74.17 -33.76 63.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 72.299999999999997 110.84 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -62.19 -52.63 63.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 74.400000000000006 110.869 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.486 ' HA ' HD12 ' A' ' 43' ' ' ILE . 52.5 mt -59.67 -41.05 89.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.200000000000003 110.859 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.49 -31.47 70.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 61.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.57 -31.34 63.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 71.099999999999994 111.088 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.486 HD12 ' HA ' ' A' ' 40' ' ' LEU . 22.7 mt -75.54 -49.1 28.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 65.5 111.151 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -62.32 -31.59 72.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 52.5 110.887 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -81.45 -74.54 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 74.400000000000006 110.887 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -134.38 114.66 13.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.913 -0.585 . . . . 73.099999999999994 110.819 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.57 -175.41 2.79 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.124 0.488 . . . . 51.399999999999999 111.258 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -106.35 -65.94 1.04 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.858 0.361 . . . . 64.400000000000006 110.908 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 m -162.76 -177.61 5.64 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.062 -0.517 . . . . 63.5 111.117 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -61.96 -50.64 71.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.997 0.427 . . . . 71.0 110.908 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -60.29 -44.72 95.12 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.037 -0.529 . . . . 60.200000000000003 110.866 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.68 -45.42 78.9 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.057 -0.52 . . . . 72.400000000000006 111.234 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.604 ' HA ' HD12 ' A' ' 56' ' ' ILE . 3.2 mtmm -60.32 -33.52 72.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 65.099999999999994 110.866 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -70.65 -34.44 72.06 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.082 -0.508 . . . . 75.099999999999994 110.874 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.12 -45.25 85.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.036 0.446 . . . . 74.299999999999997 111.08 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.604 HD12 ' HA ' ' A' ' 53' ' ' LYS . 4.8 mt -63.21 -35.3 71.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 73.400000000000006 110.933 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -60.38 -51.5 69.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 73.200000000000003 110.866 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.498 ' HA ' HG12 ' A' ' 61' ' ' VAL . . . -59.76 -30.5 68.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 55.399999999999999 111.109 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt -75.28 -30.96 60.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 74.299999999999997 110.842 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 65.7 m -81.7 -44.87 16.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 70.299999999999997 110.941 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.498 HG12 ' HA ' ' A' ' 58' ' ' ALA . 12.2 p -58.63 -39.15 75.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 73.099999999999994 111.102 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.79 -41.4 65.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 73.299999999999997 110.899 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -69.4 -31.49 69.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 73.200000000000003 110.877 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.453 ' CD2' HD12 ' B' ' 122' ' ' LEU . 0.2 OUTLIER -64.47 -49.19 72.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 70.0 110.914 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -60.29 -37.6 80.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 51.100000000000001 110.874 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.678 ' O ' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -70.27 -31.68 69.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 71.5 110.841 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.54 ' HB1' HD21 ' A' ' 29' ' ' LEU . . . -63.48 -57.58 9.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 64.400000000000006 111.06 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -58.71 -31.18 68.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 75.099999999999994 110.974 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -66.1 -31.86 72.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 73.299999999999997 110.852 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.678 HD13 ' O ' ' A' ' 66' ' ' ARG . 9.0 mp -76.42 -49.43 16.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 62.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -31.45 70.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 74.299999999999997 110.924 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -78.22 -31.49 49.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 52.100000000000001 110.862 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -64.93 -40.09 94.5 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.233 -0.44 . . . . 72.299999999999997 110.898 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.6 mt -82.13 -34.56 29.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.05 0.452 . . . . 55.299999999999997 110.936 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.8 ttp85 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 115.986 -0.552 . . . . 74.099999999999994 110.89 -179.86 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 115' ' ' GLU . . . . . 0.549 ' HA ' HD21 ' B' ' 118' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.83 0.348 . . . . 71.5 110.999 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -64.49 -30.7 71.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 75.5 110.976 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -59.63 -60.46 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 52.399999999999999 110.959 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.588 HD23 ' H ' ' B' ' 118' ' ' LEU . 0.6 OUTLIER -73.6 -31.3 63.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 75.099999999999994 110.969 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 40.9 t -60.53 -37.57 81.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 63.200000000000003 110.912 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -74.24 -45.36 48.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 75.299999999999997 110.866 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -60.37 -31.89 70.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 75.299999999999997 110.875 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.453 HD12 ' CD2' ' A' ' 64' ' ' LEU . 4.9 tt -70.79 -43.6 68.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 72.400000000000006 110.924 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.97 -31.24 69.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 65.400000000000006 111.089 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -82.05 -31.29 30.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 74.400000000000006 111.067 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 8.8 tp -60.41 -52.85 63.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 71.400000000000006 110.901 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -85.32 157.9 20.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 64.400000000000006 110.925 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.301 -0.857 . . . . 64.099999999999994 110.946 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.791 0.329 . . . . 74.0 110.861 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 mp -60.85 -42.46 97.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 75.099999999999994 111.012 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -59.68 -34.53 72.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 73.099999999999994 110.699 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.563 ' O ' HD23 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -79.13 -37.84 37.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 55.200000000000003 111.06 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.521 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -60.7 -51.27 70.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.023 -0.535 . . . . 63.5 111.06 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.0 mt -68.22 -32.73 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 70.200000000000003 111.065 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -59.96 -39.52 85.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 65.099999999999994 110.845 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.683 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 4.3 mm? -69.47 -43.1 73.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 72.099999999999994 110.855 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 9' ' ' ALA . 23.9 t -59.96 -42.91 91.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 54.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.2 m -57.82 -48.59 79.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 75.299999999999997 110.899 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -63.72 -28.97 70.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 73.200000000000003 110.896 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.5 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -77.42 -34.92 54.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 74.099999999999994 110.977 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -45.36 93.74 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.19 -0.459 . . . . 74.5 110.66 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -70.34 -35.8 73.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.267 -0.424 . . . . 71.099999999999994 110.772 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.44 -49.58 58.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.077 -0.51 . . . . 63.299999999999997 110.822 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -59.46 -48.12 82.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.075 -0.511 . . . . 74.099999999999994 110.748 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.56 -23.75 67.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.469 -0.332 . . . . 63.0 111.117 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.62 28.61 3.31 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.254 -0.43 . . . . 72.5 111.267 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt 57.23 65.21 1.42 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.296 -0.411 . . . . 71.200000000000003 110.814 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -138.79 71.69 1.39 Allowed 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.127 -0.488 . . . . 74.5 110.867 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.456 ' CD1' HD22 ' A' ' 70' ' ' LEU . 12.9 m-85 -64.16 -30.51 71.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.354 -0.385 . . . . 54.299999999999997 110.908 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.476 ' N ' HD11 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -72.14 -60.25 2.33 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.382 -0.372 . . . . 72.400000000000006 110.793 -179.899 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -62.23 -44.21 97.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 73.400000000000006 110.918 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.14 -31.35 67.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 64.099999999999994 111.216 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.693 ' CD2' ' HB1' ' A' ' 67' ' ' ALA . 3.1 tm? -74.64 -46.64 36.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 73.400000000000006 110.917 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -59.54 -37.7 79.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 72.299999999999997 110.94 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.5 ' HB2' ' HB2' ' A' ' 16' ' ' ALA . 7.7 mt -74.65 -33.89 62.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 74.400000000000006 110.925 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.752 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.6 m-85 -59.88 -54.03 50.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 71.400000000000006 110.907 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.672 ' CD ' HD13 ' B' ' 125' ' ' LEU . 0.0 OUTLIER -59.71 -44.19 93.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 52.200000000000003 110.866 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -60.23 -37.78 81.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 73.099999999999994 110.88 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.683 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -71.71 -45.85 60.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 51.299999999999997 111.121 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 32' ' ' TYR . 29.5 t -62.46 -41.27 91.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 74.200000000000003 111.081 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -60.24 -41.55 93.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 74.200000000000003 110.92 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -69.08 -34.33 74.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 72.400000000000006 110.907 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.434 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 2.6 m-85 -66.54 -49.37 66.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 74.299999999999997 110.883 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.0 mt -60.04 -31.47 70.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 63.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -71.07 -31.3 67.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 74.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.54 -30.8 63.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 72.400000000000006 111.131 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.4 mt -76.11 -49.74 24.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 72.200000000000003 111.113 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -60.09 -41.94 93.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 70.099999999999994 110.883 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -71.83 -73.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 75.299999999999997 110.875 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -132.95 106.47 7.7 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.214 -0.448 . . . . 64.099999999999994 111.161 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.65 -178.95 4.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 75.099999999999994 111.085 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -101.59 -66.93 0.89 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.937 -0.574 . . . . 75.400000000000006 110.908 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 m -163.1 179.78 7.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 53.5 110.584 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.07 -50.06 75.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.972 0.415 . . . . 72.299999999999997 110.992 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.58 -43.39 97.38 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.94 -0.573 . . . . 63.5 111.035 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.613 ' O ' HD12 ' A' ' 56' ' ' ILE . . . -66.39 -38.81 88.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 74.400000000000006 110.981 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -60.17 -31.72 70.38 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.947 0.403 . . . . 73.299999999999997 111.02 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -75.79 -43.87 44.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.221 -0.445 . . . . 74.200000000000003 110.849 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.2 m -61.7 -51.55 67.92 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.168 -0.469 . . . . 50.100000000000001 110.777 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.613 HD12 ' O ' ' A' ' 52' ' ' ALA . 4.5 mt -61.64 -44.93 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.046 -0.525 . . . . 74.099999999999994 110.959 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.608 ' O ' HG23 ' A' ' 61' ' ' VAL . 52.9 ttp85 -62.22 -43.65 98.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.423 . . . . 75.0 110.866 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.89 -32.89 66.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.424 . . . . 61.0 110.98 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.401 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 4.3 tptt -73.84 -31.11 63.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 74.099999999999994 110.752 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.6 m -74.14 -34.84 64.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 72.400000000000006 110.832 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.6 t -66.61 -42.73 90.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 74.5 111.07 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.23 -35.49 80.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 74.099999999999994 110.846 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.403 ' OH ' HG11 ' A' ' 13' ' ' VAL . 9.2 m-85 -67.28 -32.4 73.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 73.200000000000003 110.86 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -38.48 78.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 74.400000000000006 110.888 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.19 -56.88 16.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 74.299999999999997 110.893 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -60.09 -46.33 89.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 72.099999999999994 110.849 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.693 ' HB1' ' CD2' ' A' ' 29' ' ' LEU . . . -58.15 -45.43 87.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 74.200000000000003 111.09 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -57.51 -31.75 66.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 74.099999999999994 110.756 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.8 tttp -84.0 -28.53 27.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 53.100000000000001 111.088 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.456 HD22 ' CD1' ' A' ' 25' ' ' TYR . 30.3 mt -66.68 -43.54 84.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.332 -0.394 . . . . 70.200000000000003 110.847 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -74.8 -42.5 57.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 75.200000000000003 110.86 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.0 -30.53 71.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 34.100000000000001 110.976 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -67.6 -53.39 28.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.02 -0.536 . . . . 64.299999999999997 110.869 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.476 HD11 ' N ' ' A' ' 26' ' ' GLU . 3.1 mt -59.58 -53.65 55.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 64.200000000000003 110.949 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 116.394 -0.366 . . . . 71.099999999999994 110.959 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 115' ' ' GLU . . . . . 0.636 ' HA ' HD21 ' B' ' 118' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.835 0.35 . . . . 71.200000000000003 110.946 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.32 -29.47 65.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 72.400000000000006 110.941 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -58.62 -60.48 3.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 72.299999999999997 111.0 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.636 HD21 ' HA ' ' B' ' 115' ' ' GLU . 1.0 OUTLIER -69.99 -29.84 67.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 62.100000000000001 111.006 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 2.8 m -66.62 -46.73 74.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 71.400000000000006 110.956 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -61.61 -44.04 97.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 73.299999999999997 110.884 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -62.69 -32.62 73.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 73.5 110.884 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.49 ' HA ' HD12 ' B' ' 125' ' ' LEU . 1.3 tt -60.73 -51.59 68.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 52.299999999999997 110.924 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.05 -35.18 74.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 65.5 111.118 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.99 -35.66 80.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 55.299999999999997 111.093 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.672 HD13 ' CD ' ' A' ' 33' ' ' GLN . 7.9 mt -64.55 -38.64 91.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 60.100000000000001 110.913 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -98.45 35.57 1.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 74.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.208 -0.901 . . . . 65.099999999999994 110.901 -179.983 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.769 0.319 . . . . 63.399999999999999 110.892 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.33 -44.47 79.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 64.400000000000006 111.124 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -31.38 70.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.303 -0.408 . . . . 75.5 111.312 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -80.33 -31.74 38.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 73.5 110.81 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.88 -39.27 79.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 44.100000000000001 111.116 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.8 mt -77.65 -49.51 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 65.299999999999997 111.084 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -59.25 -31.26 68.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 75.400000000000006 110.932 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.7 mt -71.77 -52.78 15.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 74.5 110.902 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.78 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 11.6 p -64.08 -35.19 72.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 74.299999999999997 111.116 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 75.0 m -59.26 -49.26 78.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 70.200000000000003 110.886 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.648 ' HB3' HD13 ' A' ' 31' ' ' LEU . 41.0 mmtt -62.34 -31.82 72.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 71.299999999999997 110.836 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.59 -39.36 80.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 72.5 111.097 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.34 -45.57 92.98 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.143 -0.48 . . . . 62.100000000000001 110.77 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -61.61 -40.79 96.07 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.778 0.323 . . . . 63.399999999999999 110.863 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -59.17 -50.38 74.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.337 -0.392 . . . . 74.200000000000003 110.834 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.41 ' OD2' HD11 ' A' ' 70' ' ' LEU . 5.3 t0 -57.76 -30.04 65.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 75.400000000000006 111.027 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -80.03 -26.57 39.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 75.299999999999997 111.003 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.35 29.92 3.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.478 -0.328 . . . . 74.200000000000003 111.08 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt 58.25 37.2 26.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 72.299999999999997 111.214 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -120.76 78.75 1.41 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.239 -0.437 . . . . 71.400000000000006 110.979 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.583 ' O ' HD23 ' A' ' 70' ' ' LEU . 23.8 m-85 -74.59 -33.82 62.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 71.200000000000003 110.817 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.427 ' N ' HD11 ' A' ' 74' ' ' LEU . 4.8 tt0 -63.06 -49.12 75.79 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.814 0.34 . . . . 63.200000000000003 110.804 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -69.79 -42.42 73.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 52.399999999999999 110.911 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.502 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . . . -59.69 -45.48 91.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 53.200000000000003 111.129 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.575 HD23 ' O ' ' A' ' 29' ' ' LEU . 1.6 tt -60.37 -42.79 96.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 70.200000000000003 110.927 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -60.24 -57.87 10.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 74.400000000000006 110.928 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.648 HD13 ' HB3' ' A' ' 15' ' ' LYS . 18.8 mt -60.49 -31.63 70.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 65.400000000000006 110.915 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.414 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.3 m-85 -64.06 -42.57 96.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 74.099999999999994 110.896 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -60.12 -57.6 12.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 72.200000000000003 110.907 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -60.12 -33.38 72.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 75.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.423 ' HB1' ' HB ' ' A' ' 13' ' ' VAL . . . -60.73 -61.91 2.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 75.400000000000006 111.09 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.5 t -59.89 -33.82 53.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 74.5 111.113 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -60.33 -38.78 84.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 70.400000000000006 110.882 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -73.53 -32.04 64.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 73.5 110.913 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -64.57 -53.02 54.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 61.399999999999999 110.875 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.515 ' HA ' HD12 ' A' ' 43' ' ' ILE . 49.4 mt -60.0 -39.57 86.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 64.299999999999997 110.908 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -60.38 -31.58 70.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 75.400000000000006 110.895 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.03 -31.08 61.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 44.399999999999999 111.134 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' A' ' 40' ' ' LEU . 21.9 mt -75.82 -50.88 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 72.400000000000006 111.107 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -31.65 70.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 61.299999999999997 110.879 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -82.44 -74.37 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 72.400000000000006 110.926 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -134.72 111.28 9.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 70.400000000000006 110.939 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -107.52 153.17 23.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.16 0.505 . . . . 60.200000000000003 111.226 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.413 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 10.6 t60 -67.06 -65.82 0.63 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.321 -0.399 . . . . 62.399999999999999 111.034 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.7 m -163.84 -177.03 4.88 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.045 -0.525 . . . . 61.5 111.091 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -62.36 -49.67 74.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.927 0.394 . . . . 74.299999999999997 110.871 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.45 -49.75 76.33 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.119 -0.491 . . . . 70.400000000000006 111.038 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.413 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -60.14 -41.77 93.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 71.200000000000003 111.069 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -60.27 -31.39 70.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 75.200000000000003 110.832 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -68.12 -43.08 79.2 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.068 -0.514 . . . . 74.200000000000003 110.902 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.6 p -60.45 -39.71 88.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 74.299999999999997 111.012 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.1 mt -71.84 -39.3 67.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.958 -0.565 . . . . 70.400000000000006 111.105 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.815 ' O ' HG23 ' A' ' 61' ' ' VAL . 5.7 ttm180 -59.42 -56.29 23.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 73.299999999999997 110.864 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.97 -35.38 69.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 63.100000000000001 110.974 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.405 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 12.4 mmtp -74.53 -30.43 61.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 74.299999999999997 110.735 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 81.4 m -78.85 -40.3 32.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 54.200000000000003 110.849 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 57' ' ' ARG . 27.6 t -60.85 -40.79 86.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 75.400000000000006 111.037 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -72.31 -36.51 68.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 73.400000000000006 110.85 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.78 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 2.5 m-85 -64.49 -33.61 76.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 75.099999999999994 110.87 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.676 HD21 ' HG ' ' B' ' 122' ' ' LEU . 2.9 mt -72.61 -38.26 67.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 62.100000000000001 110.86 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -60.6 -36.37 78.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 71.299999999999997 110.865 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.684 ' O ' HD13 ' A' ' 70' ' ' LEU . 15.0 mmm-85 -71.5 -39.39 70.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 75.299999999999997 110.917 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.67 -49.2 78.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 70.400000000000006 111.073 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -60.13 -38.65 83.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 73.400000000000006 110.874 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.32 -33.93 76.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 63.399999999999999 110.855 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.684 HD13 ' O ' ' A' ' 66' ' ' ARG . 9.2 mp -68.46 -34.81 76.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 72.299999999999997 110.843 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -49.25 75.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 73.400000000000006 110.896 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -64.29 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 60.299999999999997 110.927 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' A' ' 25' ' ' TYR . 11.4 t80 -60.54 -43.1 97.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.862 -0.608 . . . . 54.200000000000003 110.802 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.427 HD11 ' N ' ' A' ' 26' ' ' GLU . 4.6 mt -84.43 -32.34 24.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.244 0.545 . . . . 63.299999999999997 111.032 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.004 -0.544 . . . . 73.200000000000003 110.931 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 115' ' ' GLU . . . . . 0.648 ' HA ' HD21 ' B' ' 118' ' ' LEU . 2.9 tt0 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.856 0.36 . . . . 74.299999999999997 110.894 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -71.39 -29.4 64.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 74.200000000000003 110.981 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -58.68 -60.42 3.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 61.399999999999999 110.961 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.648 HD21 ' HA ' ' B' ' 115' ' ' GLU . 0.9 OUTLIER -68.84 -30.37 68.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 54.200000000000003 110.951 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 31.0 m -60.26 -46.26 90.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 65.400000000000006 110.923 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.43 -39.43 88.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 71.400000000000006 110.903 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 19.3 mtt180 -61.34 -31.61 71.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 73.400000000000006 110.91 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.676 ' HG ' HD21 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -68.47 -51.38 44.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 70.400000000000006 110.891 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.48 -43.2 99.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 50.5 111.087 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.25 -36.65 84.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 53.100000000000001 111.125 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 9.5 tt -62.39 -42.97 99.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 72.400000000000006 110.894 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 5.7 ptt180 -81.1 141.88 33.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 74.099999999999994 110.882 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 9.0 p30 . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.204 -0.903 . . . . 55.5 110.889 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.4 m . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.812 0.339 . . . . 63.200000000000003 110.858 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.437 HD21 ' HB1' ' A' ' 42' ' ' ALA . 3.6 mm? -67.51 -50.24 59.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 62.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 33.3 tp60 -57.33 -37.41 72.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 75.400000000000006 111.142 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.766 ' O ' HD23 ' A' ' 12' ' ' LEU . 1.1 mmpt? -67.12 -31.37 71.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 70.0 111.104 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.696 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -69.55 -30.56 68.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.013 -0.54 . . . . 73.299999999999997 111.106 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.4 mm -70.41 -48.66 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 63.5 111.106 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -59.41 -34.1 72.05 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.176 -0.465 . . . . 64.099999999999994 111.442 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.766 HD23 ' O ' ' A' ' 8' ' ' LYS . 3.5 mm? -70.2 -54.95 10.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.041 -0.527 . . . . 72.099999999999994 110.848 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.4 p -60.5 -36.55 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 61.200000000000003 111.113 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.0 m -59.93 -50.93 71.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.400000000000006 110.847 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -60.16 -31.62 70.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 71.299999999999997 110.877 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.57 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -69.79 -38.93 76.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 54.399999999999999 111.092 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.814 HG22 ' HE3' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -60.45 -40.8 92.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 71.299999999999997 110.839 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -68.92 -44.65 72.67 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-O 121.122 0.487 . . . . 75.099999999999994 110.95 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.431 ' HB3' ' HB2' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -58.87 -53.46 58.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.557 . . . . 74.400000000000006 110.808 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -57.39 -30.17 64.68 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 116.018 -0.537 . . . . 74.099999999999994 111.225 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.814 ' HE3' HG22 ' A' ' 17' ' ' THR . 14.5 mttt -83.93 -25.19 30.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 73.400000000000006 110.984 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.98 29.06 3.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.709 0.29 . . . . 42.0 111.168 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt 58.86 36.79 24.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.31 -0.404 . . . . 54.5 110.909 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 -118.9 77.98 1.24 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.94 0.4 . . . . 53.0 110.766 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.488 ' CE2' ' CE1' ' A' ' 73' ' ' TYR . 17.2 m-85 -68.77 -42.33 77.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.506 . . . . 73.299999999999997 110.905 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.24 -59.85 4.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.329 -0.396 . . . . 74.200000000000003 110.867 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -61.03 -31.67 71.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 71.400000000000006 110.919 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.431 ' HB2' ' HB3' ' A' ' 19' ' ' GLU . . . -70.31 -30.69 67.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 72.099999999999994 111.119 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.542 HD13 ' C ' ' A' ' 29' ' ' LEU . 3.3 tm? -71.19 -47.63 56.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 74.5 110.927 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.4 ptm85 -58.98 -36.17 74.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 74.400000000000006 110.913 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.57 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 3.3 mm? -74.64 -46.6 37.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 75.299999999999997 110.875 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.404 ' CD2' ' HB1' ' A' ' 16' ' ' ALA . 2.5 m-85 -60.41 -39.46 87.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 71.099999999999994 110.901 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -60.19 -56.43 21.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 62.100000000000001 110.885 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -61.11 -31.55 71.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 63.399999999999999 110.898 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.468 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -61.36 -61.82 2.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 64.099999999999994 111.151 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.429 HG11 ' CD1' ' B' ' 122' ' ' LEU . 21.5 t -59.71 -34.18 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 75.5 111.136 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -59.66 -39.57 84.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 74.099999999999994 110.903 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -72.19 -34.6 68.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 74.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.696 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 35.9 m-85 -65.52 -48.69 71.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 73.099999999999994 110.907 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.527 HD11 HD13 ' B' ' 122' ' ' LEU . 77.2 mt -59.46 -38.65 81.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 73.299999999999997 110.938 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -64.39 -31.28 72.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 72.200000000000003 110.881 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.437 ' HB1' HD21 ' A' ' 6' ' ' LEU . . . -70.64 -33.88 71.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 50.299999999999997 111.064 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.0 mt -71.89 -52.4 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 53.299999999999997 111.122 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -60.13 -31.42 70.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 72.400000000000006 110.915 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -83.28 -73.1 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 71.299999999999997 110.919 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -141.71 115.23 8.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.001 -0.545 . . . . 63.200000000000003 110.659 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.41 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -98.03 166.08 11.6 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.12 -0.491 . . . . 61.299999999999997 110.969 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -84.97 -58.06 2.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.386 -0.37 . . . . 61.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.6 p -172.45 179.02 2.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.98 -0.554 . . . . 73.099999999999994 110.695 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.96 -47.35 86.82 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.927 -0.579 . . . . 50.100000000000001 110.854 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -46.43 90.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.354 -0.384 . . . . 51.200000000000003 110.841 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.74 -44.09 74.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 54.299999999999997 110.954 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.41 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 22.8 mtmt -60.12 -31.85 70.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 75.200000000000003 110.884 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -74.36 -32.51 62.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 71.099999999999994 110.893 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.89 -33.3 73.54 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.06 -0.518 . . . . 72.099999999999994 110.832 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.4 mt -75.44 -34.98 31.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.957 -0.565 . . . . 72.299999999999997 111.113 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.684 ' O ' HG23 ' A' ' 61' ' ' VAL . 1.6 mtm180 -59.84 -58.26 9.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 75.200000000000003 110.878 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.96 -41.09 82.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 54.5 111.046 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 8.4 mttp -67.19 -30.34 70.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 74.5 110.818 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 12.9 m -74.02 -40.98 62.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 72.400000000000006 110.862 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.5 t -59.66 -38.78 77.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 71.299999999999997 111.12 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -76.36 -30.77 57.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 61.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 59' ' ' LYS . 3.4 m-85 -69.16 -52.76 24.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 72.299999999999997 110.921 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.6 pp -60.65 -36.56 78.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 65.400000000000006 110.908 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.36 -41.61 94.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 45.200000000000003 110.795 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -70.61 -31.21 68.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 72.099999999999994 110.831 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.52 ' O ' HD23 ' A' ' 29' ' ' LEU . . . -63.93 -58.06 7.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 72.299999999999997 111.109 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.41 ' N ' HD11 ' B' ' 125' ' ' LEU . 0.4 OUTLIER -58.66 -30.93 67.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 74.0 110.88 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -69.55 -31.11 69.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 72.400000000000006 110.885 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.416 HD22 ' HB3' ' A' ' 25' ' ' TYR . 64.8 mt -77.88 -46.98 19.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 63.299999999999997 110.899 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.5 tptt -60.0 -31.36 69.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 74.200000000000003 110.897 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.61 -31.45 41.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 74.099999999999994 110.959 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.488 ' CE1' ' CE2' ' A' ' 25' ' ' TYR . 36.9 t80 -60.15 -43.83 95.45 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.191 -0.458 . . . . 75.400000000000006 110.884 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.8 mt -77.55 -32.59 53.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.327 0.584 . . . . 74.299999999999997 111.139 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 115.972 -0.558 . . . . 73.099999999999994 110.899 -179.829 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 115' ' ' GLU . . . . . 0.561 ' HA ' HD21 ' B' ' 118' ' ' LEU . 1.6 pm0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.794 0.331 . . . . 64.299999999999997 110.918 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -65.31 -30.66 71.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 71.099999999999994 110.928 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -60.5 3.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.419 . . . . 72.099999999999994 110.934 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.59 HD23 ' H ' ' B' ' 118' ' ' LEU . 0.7 OUTLIER -73.44 -31.45 63.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 73.400000000000006 110.918 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 41.5 t -60.6 -42.94 97.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 72.200000000000003 110.862 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -68.48 -46.18 70.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 63.5 110.926 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 59.5 mtp85 -60.48 -39.77 88.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 74.400000000000006 110.837 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.527 HD13 HD11 ' A' ' 40' ' ' LEU . 8.4 tt -62.07 -37.69 85.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 61.299999999999997 110.868 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.83 -48.3 82.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 71.299999999999997 111.075 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.87 -30.76 70.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 71.200000000000003 111.06 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.41 HD11 ' N ' ' A' ' 68' ' ' GLU . 6.0 tt -59.94 -57.94 10.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 73.299999999999997 110.923 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.31 119.74 18.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 72.5 110.905 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.23 -0.891 . . . . 41.299999999999997 110.879 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.834 0.349 . . . . 70.099999999999994 110.922 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.54 -44.76 81.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 74.299999999999997 110.848 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.66 -30.66 70.04 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.21 -0.45 . . . . 63.100000000000001 111.27 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.554 ' O ' HD12 ' A' ' 12' ' ' LEU . 21.0 mmtt -84.07 -32.36 24.84 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.084 -0.507 . . . . 74.0 110.876 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.496 ' HB1' ' CE1' ' A' ' 39' ' ' PHE . . . -63.48 -37.95 89.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 64.0 111.067 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.3 mt -78.69 -48.69 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 75.099999999999994 111.08 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.75 -30.94 67.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 41.299999999999997 111.074 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.782 HD22 ' HB2' ' A' ' 34' ' ' HIS . 16.6 mt -71.78 -53.76 12.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 55.299999999999997 110.899 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.404 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 11.8 p -63.14 -34.14 65.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 65.299999999999997 111.1 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 81.0 m -58.47 -53.31 59.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 64.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -60.41 -31.87 70.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 75.5 110.83 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.524 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -66.59 -41.1 89.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 51.100000000000001 111.008 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.28 -42.72 96.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 71.400000000000006 110.691 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -64.31 -36.31 83.69 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 116.203 -0.453 . . . . 73.099999999999994 110.719 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -71.67 -46.33 59.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.266 -0.424 . . . . 64.400000000000006 110.94 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -62.27 -32.33 73.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.018 -0.537 . . . . 71.400000000000006 110.981 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.1 pttt -88.02 -25.63 23.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 74.299999999999997 111.13 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.98 29.01 3.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.474 -0.33 . . . . 70.099999999999994 111.279 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.1 mttt 56.96 70.49 0.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.302 -0.408 . . . . 74.400000000000006 111.175 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -156.11 77.3 0.94 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.101 -0.499 . . . . 74.200000000000003 110.975 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.662 ' HA ' HD23 ' A' ' 70' ' ' LEU . 9.5 m-85 -76.83 -32.73 57.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 73.099999999999994 110.907 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.66 ' HB3' HD13 ' A' ' 74' ' ' LEU . 13.0 pt-20 -65.49 -47.89 74.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.898 -0.592 . . . . 53.100000000000001 110.992 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.91 -36.33 59.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 75.200000000000003 110.866 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.45 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . . . -58.93 -42.51 89.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 62.5 111.113 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.743 ' O ' HD13 ' A' ' 29' ' ' LEU . 2.6 tm? -60.14 -36.43 77.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 61.200000000000003 110.837 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -60.24 -47.11 87.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 73.200000000000003 110.819 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 12' ' ' LEU . 4.4 mm? -67.48 -40.35 85.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 70.400000000000006 110.927 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.784 ' O ' HG23 ' A' ' 36' ' ' VAL . 4.8 m-85 -59.93 -38.6 82.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 73.200000000000003 110.931 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -61.52 -58.66 7.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 74.400000000000006 110.886 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.782 ' HB2' HD22 ' A' ' 12' ' ' LEU . 2.6 m-70 -63.16 -37.62 87.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 62.100000000000001 110.864 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.476 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -59.96 -55.0 39.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 65.400000000000006 111.089 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 32' ' ' TYR . 27.9 t -63.24 -41.2 91.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 63.100000000000001 111.094 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -60.15 -44.37 95.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 75.400000000000006 110.942 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -65.93 -31.69 72.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 72.299999999999997 110.903 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.496 ' CE1' ' HB1' ' A' ' 9' ' ' ALA . 2.6 m-85 -66.9 -51.74 51.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 73.400000000000006 110.911 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.46 ' HA ' HD12 ' A' ' 43' ' ' ILE . 47.6 mt -59.82 -39.45 85.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 52.200000000000003 110.899 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -63.09 -31.44 72.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 74.5 110.914 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.58 -31.14 64.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 74.200000000000003 111.099 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 40' ' ' LEU . 22.4 mt -75.74 -51.8 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 74.200000000000003 111.101 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -31.62 70.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 62.200000000000003 110.877 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -79.54 -41.53 27.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 72.299999999999997 110.906 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -156.58 164.67 37.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 72.200000000000003 111.057 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.51 131.12 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.314 -0.403 . . . . 61.200000000000003 111.012 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -63.43 -58.31 7.45 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.411 -0.359 . . . . 74.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.7 m -156.55 -178.68 7.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 74.400000000000006 110.526 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.62 -35.23 77.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 71.200000000000003 110.799 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.58 -46.87 86.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.391 -0.368 . . . . 71.099999999999994 110.814 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.538 ' O ' HD12 ' A' ' 56' ' ' ILE . . . -65.13 -41.89 94.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.982 -0.554 . . . . 73.400000000000006 111.169 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -60.75 -33.56 73.11 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.277 -0.42 . . . . 51.399999999999999 110.838 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.49 -43.48 60.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.306 -0.406 . . . . 62.399999999999999 110.929 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 95.0 p -60.98 -48.27 82.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 73.200000000000003 110.941 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.538 HD12 ' O ' ' A' ' 52' ' ' ALA . 4.8 mt -63.14 -36.88 77.77 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.272 0 CA-C-N 116.394 -0.366 . . . . 72.400000000000006 110.864 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.752 ' O ' HG23 ' A' ' 61' ' ' VAL . 3.5 tmt_? -60.38 -52.65 64.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.349 -0.387 . . . . 74.0 110.864 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.04 -31.38 65.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 71.200000000000003 111.003 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.403 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 20.5 mttm -77.22 -31.13 54.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 72.5 110.766 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 71.6 m -78.09 -34.67 50.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.146 -0.479 . . . . 62.100000000000001 110.784 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 57' ' ' ARG . 29.8 t -68.02 -40.11 82.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 74.400000000000006 111.02 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -72.44 -32.09 66.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 74.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.404 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 3.0 m-85 -70.8 -34.5 71.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 70.099999999999994 110.859 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.607 HD12 ' HB2' ' B' ' 118' ' ' LEU . 11.6 mt -69.65 -39.22 77.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 72.299999999999997 110.855 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -60.2 -49.24 78.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 64.200000000000003 110.891 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.498 ' O ' HD13 ' A' ' 70' ' ' LEU . 19.5 ttt85 -62.04 -32.21 72.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 55.299999999999997 110.846 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.629 ' HB1' HD21 ' A' ' 29' ' ' LEU . . . -59.4 -55.53 33.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 73.400000000000006 111.065 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -58.57 -30.93 67.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 73.0 110.97 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -69.14 -30.95 69.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 73.200000000000003 110.915 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.662 HD23 ' HA ' ' A' ' 25' ' ' TYR . 7.7 mp -80.59 -50.24 10.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 73.5 110.923 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.04 -31.55 71.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 63.200000000000003 110.924 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.59 -30.94 41.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 74.099999999999994 110.956 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -60.19 -45.49 92.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.88 -0.6 . . . . 63.399999999999999 110.57 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.66 HD13 ' HB3' ' A' ' 26' ' ' GLU . 5.5 mt -83.79 -41.53 17.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.419 -0.355 . . . . 51.399999999999999 110.848 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.321 -0.639 0 CA-C-N 116.204 -0.453 . . . . 71.299999999999997 110.896 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 115' ' ' GLU . . . . . 0.629 ' HA ' HD21 ' B' ' 118' ' ' LEU . 1.3 mp0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.89 0.376 . . . . 71.099999999999994 110.921 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -73.15 -30.04 63.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 74.299999999999997 110.959 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -60.4 3.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 54.299999999999997 110.966 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.629 HD21 ' HA ' ' B' ' 115' ' ' GLU . 1.1 pt? -70.79 -29.44 65.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 63.100000000000001 110.919 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 35.0 t -65.81 -40.14 91.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.411 . . . . 43.200000000000003 110.931 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -66.83 -46.41 75.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 74.299999999999997 110.901 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -60.3 -32.05 70.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 73.200000000000003 110.896 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.601 ' HG ' HD21 ' A' ' 64' ' ' LEU . 1.8 tt -63.54 -51.79 63.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 71.5 110.874 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.9 -44.44 94.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 43.399999999999999 111.092 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.47 -31.94 72.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 63.200000000000003 111.118 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 5.1 tp -61.18 -54.53 43.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 74.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -61.52 114.29 3.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 73.299999999999997 110.877 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 5.0 t30 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.258 -0.877 . . . . 74.299999999999997 110.883 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 38' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.837 0.351 . . . . 73.400000000000006 110.871 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.744 HD23 HD11 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -60.31 -48.34 82.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 63.100000000000001 110.848 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -58.23 -37.69 75.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 50.200000000000003 110.807 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.7 mmtt -75.24 -30.51 60.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 72.0 111.295 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.598 ' HB2' ' HB3' ' A' ' 38' ' ' TYR . . . -64.26 -53.4 49.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.018 -0.537 . . . . 52.5 111.043 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.744 HD11 HD23 ' A' ' 6' ' ' LEU . 4.7 mt -64.08 -34.18 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 72.0 111.082 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.87 -41.22 86.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 63.100000000000001 110.891 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.855 HD23 HD23 ' A' ' 31' ' ' LEU . 3.5 mt -67.34 -40.08 85.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 63.5 110.817 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.625 HG13 ' HE1' ' A' ' 32' ' ' TYR . 23.9 t -64.95 -38.09 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 73.400000000000006 111.065 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.06 -57.85 11.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 70.299999999999997 110.953 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -58.49 -26.12 63.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 72.299999999999997 111.076 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.594 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -76.95 -37.85 54.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 71.5 111.084 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -37.36 81.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 74.400000000000006 110.733 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -74.23 -36.87 63.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.701 -0.681 . . . . 65.099999999999994 110.884 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.41 -49.84 44.74 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.833 -0.621 . . . . 74.400000000000006 110.867 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -59.03 -33.16 70.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.096 -0.502 . . . . 61.5 110.826 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 pttp -88.15 -26.34 22.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.747 0.308 . . . . 71.200000000000003 111.045 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.34 29.7 3.12 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.209 -0.451 . . . . 71.400000000000006 111.209 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.3 mttp 57.77 70.26 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.254 0.55 . . . . 72.0 111.151 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 -154.89 62.33 0.65 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.182 -0.463 . . . . 72.099999999999994 110.658 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.43 ' CE2' ' CE2' ' A' ' 73' ' ' TYR . 23.5 m-85 -64.07 -32.26 73.75 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-O 120.874 0.369 . . . . 74.099999999999994 110.975 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.407 ' N ' HD11 ' A' ' 74' ' ' LEU . 8.9 tt0 -67.45 -39.98 85.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.964 -0.562 . . . . 72.400000000000006 110.782 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.433 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.7 OUTLIER -82.96 -31.98 27.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 43.200000000000003 110.886 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.77 -43.49 68.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 55.200000000000003 111.159 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.542 ' CD2' ' HB1' ' A' ' 67' ' ' ALA . 3.3 tm? -60.46 -48.51 81.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 73.400000000000006 110.914 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -59.39 -43.12 93.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 74.400000000000006 110.95 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.855 HD23 HD23 ' A' ' 12' ' ' LEU . 8.7 mt -72.1 -42.15 66.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 60.100000000000001 110.826 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.625 ' HE1' HG13 ' A' ' 13' ' ' VAL . 3.7 m-85 -63.16 -38.64 91.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 74.5 110.93 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -59.98 -57.57 12.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 44.399999999999999 110.908 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.443 ' C ' HD13 ' A' ' 12' ' ' LEU . 2.0 m-70 -60.22 -31.57 70.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 75.099999999999994 110.916 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.58 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -60.05 -51.67 68.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 75.0 111.144 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.819 HG11 HD21 ' A' ' 64' ' ' LEU . 21.4 t -59.58 -39.68 80.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 54.299999999999997 111.121 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -60.58 -31.94 71.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 63.200000000000003 110.908 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.598 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 8.3 m-85 -77.86 -32.13 51.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 75.299999999999997 110.863 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -67.65 -53.48 27.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.595 ' HA ' HD12 ' A' ' 43' ' ' ILE . 40.8 mt -59.41 -42.23 91.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 70.099999999999994 110.922 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -61.29 -31.44 71.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 65.099999999999994 110.922 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.94 -31.13 66.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 74.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.595 HD12 ' HA ' ' A' ' 40' ' ' LEU . 20.8 mt -73.84 -48.85 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 62.399999999999999 111.105 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.48 -36.71 85.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 71.5 110.884 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -70.42 -72.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 74.200000000000003 110.871 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -131.3 109.01 10.06 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.209 -0.451 . . . . 71.099999999999994 110.938 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -107.57 166.3 10.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 72.0 111.132 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -101.81 -63.3 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 75.400000000000006 110.856 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.4 m -157.87 178.41 10.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 72.5 110.994 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -60.96 -37.27 81.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 72.099999999999994 110.841 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -54.96 31.97 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.153 -0.476 . . . . 51.100000000000001 110.864 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.94 95.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 71.5 111.194 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.5 mtmt -60.4 -31.63 70.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.082 -0.508 . . . . 53.200000000000003 110.68 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -76.42 -45.7 30.4 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.906 0.384 . . . . 65.099999999999994 110.936 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 76.2 p -60.36 -43.47 96.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.091 -0.504 . . . . 74.0 111.055 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.7 mt -67.53 -41.58 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 50.200000000000003 110.905 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.66 ' O ' HG23 ' A' ' 61' ' ' VAL . 7.9 tmm_? -66.85 -44.79 80.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 64.099999999999994 110.869 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.32 -35.73 67.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 62.200000000000003 111.02 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.62 -30.94 64.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 71.299999999999997 110.724 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.776 ' O ' HD23 ' A' ' 64' ' ' LEU . 66.9 m -73.85 -36.28 64.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 72.400000000000006 110.847 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.5 t -62.96 -49.98 81.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 54.5 111.067 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -62.82 -33.99 76.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 72.099999999999994 110.878 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -69.13 -34.61 75.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 74.299999999999997 110.856 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.819 HD21 HG11 ' A' ' 36' ' ' VAL . 3.7 mm? -63.59 -42.92 98.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 74.099999999999994 110.814 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.38 -48.78 80.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 73.299999999999997 110.907 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 -59.78 -44.03 94.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 71.200000000000003 110.883 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.542 ' HB1' ' CD2' ' A' ' 29' ' ' LEU . . . -57.67 -45.43 85.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 41.200000000000003 111.119 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.431 ' HA ' HD21 ' B' ' 125' ' ' LEU . 18.5 tt0 -57.6 -34.6 69.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 62.100000000000001 110.686 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.83 -29.76 40.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.104 -0.498 . . . . 65.0 111.06 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.5 ' HB2' HD23 ' A' ' 29' ' ' LEU . 30.7 mt -64.93 -52.77 54.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 72.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -66.57 -37.35 84.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 75.299999999999997 110.848 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -66.35 -31.06 71.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 73.200000000000003 110.84 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.43 ' CE2' ' CE2' ' A' ' 25' ' ' TYR . 79.9 t80 -66.21 -52.48 47.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.867 0.365 . . . . 73.400000000000006 110.906 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.407 HD11 ' N ' ' A' ' 26' ' ' GLU . 4.6 mt -68.15 -44.81 75.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 74.400000000000006 110.981 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.236 -0.438 . . . . 72.5 111.154 179.881 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 115' ' ' GLU . . . . . 0.614 ' HA ' HD21 ' B' ' 118' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.862 0.363 . . . . 74.5 110.914 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -69.58 -29.88 67.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 75.200000000000003 110.99 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -59.08 -60.42 3.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 74.099999999999994 111.008 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.614 HD21 ' HA ' ' B' ' 115' ' ' GLU . 1.0 OUTLIER -72.21 -29.59 64.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 73.400000000000006 110.939 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 38.9 t -60.7 -50.47 73.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 74.5 110.877 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -63.91 -41.33 97.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 73.099999999999994 110.885 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 -60.19 -40.92 91.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 75.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.45 ' O ' HD23 ' B' ' 122' ' ' LEU . 1.6 tt -62.16 -37.19 84.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 54.399999999999999 110.872 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.85 -46.18 90.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 72.400000000000006 111.103 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.37 -31.19 57.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 71.299999999999997 111.062 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.435 ' HA ' HD22 ' B' ' 125' ' ' LEU . 0.3 OUTLIER -60.38 -37.66 81.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 73.299999999999997 110.89 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -86.75 155.87 20.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 61.5 110.891 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 12.2 p30 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.261 -0.876 . . . . 64.200000000000003 110.898 179.974 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.755 0.312 . . . . 64.400000000000006 110.898 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.486 ' O ' HD12 ' A' ' 10' ' ' ILE . 3.4 mp -60.28 -43.81 95.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 42.200000000000003 110.833 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -60.02 -38.09 81.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 72.5 110.984 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.02 -36.27 48.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 71.400000000000006 111.025 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.416 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -60.44 -47.91 84.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.047 -0.524 . . . . 70.099999999999994 111.056 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.486 HD12 ' O ' ' A' ' 6' ' ' LEU . 4.5 mt -63.57 -53.55 43.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 63.100000000000001 111.04 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.65 -31.14 67.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.200000000000003 110.973 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.404 HD22 ' HB3' ' A' ' 34' ' ' HIS . 23.9 mt -72.09 -50.9 24.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 54.100000000000001 110.897 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.576 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 11.9 p -66.99 -34.72 71.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 64.400000000000006 111.119 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.0 m -58.52 -55.21 38.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 74.299999999999997 110.86 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -31.48 69.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 74.400000000000006 110.852 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.759 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -67.71 -34.06 76.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 71.0 110.985 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.17 -36.59 77.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 75.299999999999997 110.717 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -68.62 -44.42 74.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.393 -0.367 . . . . 72.5 110.738 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.03 -51.92 67.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 71.299999999999997 110.959 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.789 ' OD2' HD11 ' A' ' 70' ' ' LEU . 5.3 t70 -57.93 -30.36 65.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 62.399999999999999 111.105 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -83.5 -27.96 29.03 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-N 116.477 -0.329 . . . . 74.400000000000006 110.806 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.33 29.11 3.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.789 0.328 . . . . 71.200000000000003 111.289 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.453 ' O ' ' ND2' ' A' ' 24' ' ' ASN . 9.5 mttm 58.14 70.35 0.66 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.266 0.555 . . . . 71.299999999999997 111.168 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -152.56 74.27 1.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.04 -0.527 . . . . 72.200000000000003 110.818 179.864 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.738 ' CD1' HD22 ' A' ' 70' ' ' LEU . 11.4 m-85 -69.1 -31.7 70.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 74.299999999999997 110.769 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.503 ' HG3' HD13 ' A' ' 74' ' ' LEU . 3.8 tt0 -72.32 -38.17 68.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.861 0.362 . . . . 74.299999999999997 110.78 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -83.02 -30.33 28.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 62.0 110.957 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.403 ' O ' ' CD2' ' A' ' 32' ' ' TYR . . . -72.85 -43.71 62.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 72.099999999999994 111.159 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.595 HD11 ' HB2' ' A' ' 71' ' ' LYS . 1.6 tt -59.64 -54.18 49.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 72.099999999999994 110.897 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -36.55 73.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 71.299999999999997 111.016 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.759 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 1.9 mt -76.53 -31.53 57.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 74.200000000000003 110.884 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.439 ' CE2' ' HD3' ' A' ' 66' ' ' ARG . 8.6 m-85 -69.85 -48.41 58.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 75.200000000000003 110.969 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.456 ' OE1' HD23 ' B' ' 125' ' ' LEU . 34.6 mt-30 -59.54 -45.84 90.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 62.100000000000001 110.949 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.404 ' HB3' HD22 ' A' ' 12' ' ' LEU . 2.3 t-160 -60.49 -37.62 81.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 71.299999999999997 110.936 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.45 -57.36 7.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 35.399999999999999 111.072 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.5 t -59.63 -32.7 49.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 43.100000000000001 111.105 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -60.21 -45.41 93.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 64.299999999999997 110.907 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -68.86 -31.53 70.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 74.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.416 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 2.5 m-85 -68.1 -42.2 80.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 73.200000000000003 110.903 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.839 ' HA ' HD12 ' A' ' 43' ' ' ILE . 83.6 mt -60.17 -47.74 84.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 65.400000000000006 110.906 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -63.41 -31.31 72.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 55.299999999999997 110.876 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.37 -33.65 74.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 72.099999999999994 111.132 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.839 HD12 ' HA ' ' A' ' 40' ' ' LEU . 5.2 mt -72.22 -53.09 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 54.100000000000001 111.085 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -60.05 -31.36 69.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 65.299999999999997 110.929 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -79.32 -50.85 10.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 75.099999999999994 110.862 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -142.0 158.58 43.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 64.0 110.857 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.431 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -175.24 130.14 0.29 Allowed 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 116.077 -0.51 . . . . 54.299999999999997 111.012 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -60.34 -74.58 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.068 -0.514 . . . . 73.200000000000003 110.886 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.9 t -146.24 -171.81 3.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 72.099999999999994 110.752 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -64.71 -39.17 93.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 74.400000000000006 110.9 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -60.54 -52.36 65.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.294 -0.412 . . . . 75.299999999999997 110.998 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.98 -43.17 99.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 73.200000000000003 111.178 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.431 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 19.4 mtmm -60.09 -31.46 70.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.308 -0.405 . . . . 65.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.98 -43.34 65.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 74.0 110.936 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.5 p -60.32 -46.98 87.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 73.400000000000006 110.702 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 34.4 mt -69.78 -37.64 74.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 116.24 -0.436 . . . . 65.299999999999997 110.848 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.671 ' O ' HG23 ' A' ' 61' ' ' VAL . 10.4 ttp180 -69.16 -47.51 64.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 62.5 110.884 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.73 -36.32 67.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 75.200000000000003 111.013 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.403 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 44.2 mttt -72.2 -30.72 65.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.053 -0.521 . . . . 72.400000000000006 110.764 179.745 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 81.3 m -74.79 -37.85 62.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 64.299999999999997 110.841 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.685 HG22 HD22 ' B' ' 118' ' ' LEU . 21.6 t -61.96 -45.2 99.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 74.099999999999994 111.069 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -70.48 -35.8 73.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 62.100000000000001 110.85 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.576 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 3.0 m-85 -66.91 -34.55 78.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 74.299999999999997 110.827 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.478 HD21 ' HG ' ' B' ' 122' ' ' LEU . 0.2 OUTLIER -73.24 -31.34 64.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 74.400000000000006 110.903 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -62.91 -50.37 71.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 52.200000000000003 110.889 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.439 ' HD3' ' CE2' ' A' ' 32' ' ' TYR . 4.7 ptp85 -64.9 -34.02 77.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 63.399999999999999 110.896 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.18 -53.06 62.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 73.299999999999997 111.089 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -59.87 -31.21 69.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 73.400000000000006 110.892 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -68.78 -41.41 78.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 51.399999999999999 110.878 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.789 HD11 ' OD2' ' A' ' 20' ' ' ASP . 64.6 mt -64.21 -31.09 72.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 72.400000000000006 110.897 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.595 ' HB2' HD11 ' A' ' 29' ' ' LEU . 6.7 tttp -69.83 -39.98 76.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 75.0 110.82 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -66.3 -31.26 71.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 72.200000000000003 110.897 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -65.25 -56.15 14.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 72.5 110.879 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.503 HD13 ' HG3' ' A' ' 26' ' ' GLU . 6.0 mt -65.13 -31.52 72.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.308 -0.406 . . . . 73.400000000000006 111.037 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 116.116 -0.493 . . . . 75.299999999999997 111.144 -179.914 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 115' ' ' GLU . . . . . 0.646 ' HA ' HD21 ' B' ' 118' ' ' LEU . 4.1 tm-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.794 0.33 . . . . 74.0 110.89 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -72.83 -29.11 62.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 62.399999999999999 110.984 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -58.3 -60.41 3.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 74.099999999999994 110.977 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.685 HD22 HG22 ' A' ' 61' ' ' VAL . 1.0 OUTLIER -68.46 -29.93 68.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 35.100000000000001 110.922 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 22.7 t -62.41 -41.44 98.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 51.399999999999999 110.891 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -68.92 -43.11 75.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 73.099999999999994 110.934 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 24.9 mtt-85 -60.27 -32.39 71.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 74.400000000000006 110.908 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.545 HD13 HD11 ' A' ' 40' ' ' LEU . 1.4 tt -69.22 -42.85 75.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 71.099999999999994 110.869 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.83 -47.58 85.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 53.5 111.129 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.08 -35.91 80.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 73.5 111.091 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.456 HD23 ' OE1' ' A' ' 33' ' ' GLN . 24.6 tp -60.39 -34.27 73.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 72.299999999999997 110.916 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -67.46 -56.22 10.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 31.199999999999999 110.93 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 3.3 p30 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.256 -0.878 . . . . 71.400000000000006 110.901 179.982 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.828 0.347 . . . . 62.200000000000003 110.902 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.36 -43.33 96.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 75.099999999999994 110.886 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -60.38 -37.39 80.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 65.400000000000006 111.079 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -77.11 -31.67 55.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 74.099999999999994 111.141 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.743 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -63.75 -52.38 60.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 65.099999999999994 111.095 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.4 mt -63.74 -39.77 86.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 62.200000000000003 111.024 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.05 -37.98 81.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 52.100000000000001 111.197 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.738 HD22 ' HB3' ' A' ' 34' ' ' HIS . 9.3 mt -71.73 -37.83 70.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 64.200000000000003 110.932 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 9' ' ' ALA . 32.2 t -66.97 -41.95 88.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 71.5 111.056 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 m -58.3 -50.12 74.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 73.299999999999997 110.928 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.673 ' HB3' HD13 ' A' ' 31' ' ' LEU . 13.9 mmtt -60.39 -30.74 69.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 72.299999999999997 110.909 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.94 -34.39 57.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 70.200000000000003 111.044 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.44 -40.49 91.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 54.399999999999999 110.69 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -70.89 -44.6 65.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 75.099999999999994 110.802 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -58.72 -56.21 25.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 62.299999999999997 110.9 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -56.94 -30.24 63.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.967 -0.56 . . . . 74.099999999999994 110.881 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -85.25 -25.01 27.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.357 -0.383 . . . . 72.099999999999994 111.004 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.01 29.64 3.02 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.143 -0.481 . . . . 54.0 111.289 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt 58.99 41.53 20.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.409 . . . . 73.400000000000006 111.235 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -126.82 78.16 1.78 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.145 -0.479 . . . . 74.400000000000006 111.027 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.648 ' CD1' HD22 ' A' ' 70' ' ' LEU . 20.2 m-85 -73.85 -32.37 63.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.764 -0.653 . . . . 72.5 110.923 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.508 ' OE1' HD13 ' A' ' 74' ' ' LEU . 2.3 tp10 -60.14 -60.0 4.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.341 -0.39 . . . . 71.099999999999994 110.878 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -64.73 -35.78 82.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 73.099999999999994 110.943 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.477 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -59.43 -46.75 87.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 65.400000000000006 111.1 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.698 HD11 ' OE1' ' A' ' 33' ' ' GLN . 3.2 tm? -61.15 -39.51 90.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 65.099999999999994 110.901 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -60.33 -51.45 69.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 71.200000000000003 110.915 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.673 HD13 ' HB3' ' A' ' 15' ' ' LYS . 8.0 mt -73.83 -31.46 63.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 75.200000000000003 110.889 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.477 ' CE2' ' HB1' ' A' ' 28' ' ' ALA . 2.1 m-85 -62.36 -50.83 70.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 74.200000000000003 110.919 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.698 ' OE1' HD11 ' A' ' 29' ' ' LEU . 11.6 mt-30 -60.01 -50.13 74.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 52.399999999999999 110.921 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.738 ' HB3' HD22 ' A' ' 12' ' ' LEU . 1.5 t-160 -60.3 -32.97 71.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 63.399999999999999 110.928 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.471 ' HB1' HG22 ' A' ' 13' ' ' VAL . . . -65.77 -58.18 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 63.200000000000003 111.13 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.66 -34.13 54.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 61.200000000000003 111.133 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.53 -49.62 76.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 72.200000000000003 110.897 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -61.81 -34.79 76.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 75.200000000000003 110.937 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -62.23 -51.29 68.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 72.200000000000003 110.907 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.581 ' HA ' HD12 ' A' ' 43' ' ' ILE . 61.9 mt -59.9 -40.32 88.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 74.400000000000006 110.925 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -60.7 -31.51 70.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 70.200000000000003 110.936 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.1 -31.05 62.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 60.299999999999997 111.113 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 40' ' ' LEU . 21.8 mt -74.61 -50.94 24.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 64.200000000000003 111.108 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.1 -31.38 69.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 63.399999999999999 110.943 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -80.85 -66.35 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 75.299999999999997 110.899 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -139.68 116.08 10.6 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.151 -0.477 . . . . 71.099999999999994 110.862 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -104.58 177.13 4.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 75.200000000000003 111.217 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -105.17 -53.63 2.63 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.87 0.367 . . . . 63.100000000000001 110.957 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 m -175.55 -176.62 0.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 33.100000000000001 110.874 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.06 -46.09 90.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.973 -0.558 . . . . 73.400000000000006 110.874 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.7 tttt -60.8 -39.97 90.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.287 -0.415 . . . . 62.100000000000001 110.791 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.5 -42.99 70.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 42.100000000000001 111.207 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.6 mtmm -60.21 -31.71 70.42 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.075 -0.511 . . . . 73.400000000000006 110.948 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -73.74 -43.15 59.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 65.200000000000003 110.855 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.29 -43.53 81.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.271 -0.422 . . . . 64.299999999999997 110.946 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.4 mt -69.5 -45.09 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 74.299999999999997 110.977 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.655 ' O ' HG23 ' A' ' 61' ' ' VAL . 43.1 ttp85 -66.82 -45.53 77.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 75.200000000000003 110.857 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.8 -33.64 66.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 52.5 111.024 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -74.2 -30.61 62.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 62.399999999999999 110.797 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 64.2 m -74.92 -34.02 62.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 73.099999999999994 110.855 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.971 HG22 HD22 ' B' ' 118' ' ' LEU . 21.6 t -65.72 -50.21 72.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 63.100000000000001 111.075 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -64.38 -31.49 72.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 70.299999999999997 110.925 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -71.07 -37.4 72.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 74.099999999999994 110.866 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.74 -46.46 90.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 75.200000000000003 110.912 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -60.72 -42.27 96.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 63.399999999999999 110.917 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.3 mtp180 -67.82 -43.51 79.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 61.299999999999997 110.857 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.6 ' O ' HD23 ' A' ' 29' ' ' LEU . . . -58.8 -49.87 76.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 53.200000000000003 111.16 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -59.78 -31.07 69.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 71.5 110.887 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -33.63 73.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 74.299999999999997 110.917 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.648 HD22 ' CD1' ' A' ' 25' ' ' TYR . 74.5 mt -68.22 -54.01 20.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 54.399999999999999 110.884 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -60.35 -35.16 75.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 74.299999999999997 110.926 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -67.06 -31.61 72.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 74.400000000000006 110.89 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -71.94 -37.14 70.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 75.299999999999997 110.721 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.508 HD13 ' OE1' ' A' ' 26' ' ' GLU . 8.9 mt -85.13 -31.9 23.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.902 0.382 . . . . 71.099999999999994 110.781 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.1 ttm-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 74.400000000000006 110.872 179.993 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 115' ' ' GLU . . . . . 0.602 ' HA ' HD21 ' B' ' 118' ' ' LEU . 3.2 tt0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.82 0.343 . . . . 71.299999999999997 110.904 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.61 -30.25 68.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 64.099999999999994 110.966 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -59.04 -60.45 3.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.426 . . . . 73.099999999999994 110.953 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.971 HD22 HG22 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -72.19 -30.35 64.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 61.0 110.931 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 39.9 t -60.23 -49.4 77.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 70.099999999999994 110.862 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -46.26 87.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.400000000000006 110.896 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -63.15 -31.38 72.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 64.200000000000003 110.899 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.17 -53.97 51.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 73.5 110.92 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.04 -31.32 69.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 70.200000000000003 111.101 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.99 -39.81 29.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 63.0 111.093 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.492 HD23 ' HG2' ' A' ' 33' ' ' GLN . 6.2 tp -61.84 -33.84 74.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 73.299999999999997 110.952 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.26 174.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 75.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.216 -0.897 . . . . 73.099999999999994 110.925 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.835 0.35 . . . . 74.200000000000003 110.876 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.89 -56.9 15.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 73.099999999999994 111.162 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -61.6 -45.8 92.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.415 . . . . 74.299999999999997 110.985 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -65.76 -32.11 73.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 74.400000000000006 110.69 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 5' ' ' THR . . . -64.83 -57.13 9.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 73.099999999999994 111.11 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.0 mt -61.62 -33.61 58.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 74.299999999999997 111.029 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -60.28 -39.29 86.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 71.099999999999994 110.904 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.602 HD23 HD23 ' A' ' 31' ' ' LEU . 6.0 mt -68.89 -37.42 78.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 71.400000000000006 110.924 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.529 HG11 ' CZ ' ' A' ' 63' ' ' TYR . 22.0 t -64.02 -50.1 78.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 75.299999999999997 111.118 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -57.77 -34.88 70.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 73.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -73.85 -27.38 61.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 73.099999999999994 111.043 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.74 -40.76 24.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.332 -0.395 . . . . 63.0 111.045 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -44.98 94.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 70.099999999999994 110.705 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -69.24 -39.22 78.63 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.192 -0.458 . . . . 63.200000000000003 110.891 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -60.65 -55.86 28.19 Favored 'General case' 0 CA--C 1.524 -0.042 0 CA-C-N 115.973 -0.558 . . . . 61.200000000000003 111.051 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.635 ' OD2' HD11 ' A' ' 70' ' ' LEU . 7.3 t0 -57.29 -30.21 64.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.497 -0.32 . . . . 74.400000000000006 110.935 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -83.96 -27.48 28.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.979 -0.555 . . . . 64.299999999999997 111.073 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.29 32.97 2.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.139 -0.482 . . . . 64.0 111.32 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp 58.97 71.34 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 73.099999999999994 110.959 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -160.57 78.19 0.62 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.22 -0.445 . . . . 73.299999999999997 110.996 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' A' ' 73' ' ' TYR . 51.4 m-85 -75.1 -31.35 61.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.863 -0.608 . . . . 75.200000000000003 110.861 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.687 ' HG2' HD13 ' A' ' 74' ' ' LEU . 2.9 mt-10 -66.48 -48.33 70.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 75.200000000000003 110.866 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -71.54 -43.46 66.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 64.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.75 -44.22 93.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 72.200000000000003 111.133 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.536 HD23 ' O ' ' A' ' 29' ' ' LEU . 5.7 tt -60.26 -48.99 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 74.200000000000003 110.897 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -61.89 -50.57 71.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 65.5 110.906 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.602 HD23 HD23 ' A' ' 12' ' ' LEU . 16.2 mt -60.16 -31.5 70.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 71.200000000000003 110.903 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.805 ' O ' HG23 ' A' ' 36' ' ' VAL . 3.4 m-85 -68.85 -31.55 70.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 74.400000000000006 110.905 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -74.35 -49.31 23.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 73.099999999999994 110.924 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.404 ' HB2' HD22 ' A' ' 12' ' ' LEU . 4.8 m-70 -60.5 -42.1 95.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 61.200000000000003 110.895 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.486 ' HB2' ' CB ' ' A' ' 12' ' ' LEU . . . -60.0 -51.87 67.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 53.399999999999999 111.09 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 32' ' ' TYR . 27.8 t -63.23 -38.95 83.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 73.099999999999994 111.054 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -60.63 -37.47 81.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 72.200000000000003 110.899 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -73.42 -31.9 64.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 73.299999999999997 110.874 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -70.41 -46.77 63.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 74.400000000000006 110.922 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.2 mt -60.28 -38.38 83.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 73.299999999999997 110.875 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -73.16 -31.41 64.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 74.099999999999994 110.906 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.94 -43.99 64.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 74.099999999999994 111.1 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.812 HD11 ' CG2' ' A' ' 56' ' ' ILE . 23.5 mt -77.25 -31.16 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 73.5 111.154 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -67.59 -41.93 83.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 72.099999999999994 110.853 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -79.21 -37.2 38.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 71.200000000000003 110.938 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -150.71 128.26 11.48 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.188 -0.46 . . . . 64.299999999999997 111.032 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -129.06 143.1 50.75 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.271 -0.422 . . . . 70.099999999999994 111.134 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -68.21 -67.63 0.45 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.369 -0.378 . . . . 62.299999999999997 110.718 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.86 -177.76 6.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 64.299999999999997 110.697 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.8 -46.69 89.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 64.299999999999997 110.672 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 tttp -60.34 -52.58 64.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 62.200000000000003 110.92 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.443 ' O ' HD12 ' A' ' 56' ' ' ILE . . . -60.16 -43.4 95.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 54.100000000000001 110.868 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -59.95 -49.7 76.66 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.168 -0.469 . . . . 75.400000000000006 110.732 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.04 -29.47 67.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.874 0.369 . . . . 72.299999999999997 111.03 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 t -81.1 -49.28 11.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 44.5 110.775 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.812 ' CG2' HD11 ' A' ' 43' ' ' ILE . 5.5 mt -60.69 -38.11 77.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.376 -0.375 . . . . 62.5 110.833 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.9 ' O ' HG23 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -71.82 -37.35 70.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 72.5 110.838 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.417 ' N ' ' HG3' ' A' ' 57' ' ' ARG . . . -57.1 -41.05 78.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.958 0.409 . . . . 74.0 110.757 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.405 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 5.7 tttt -70.82 -34.55 71.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.973 -0.558 . . . . 51.100000000000001 110.494 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 76.9 m -69.82 -37.29 76.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 72.299999999999997 110.718 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.912 HG22 HD22 ' B' ' 118' ' ' LEU . 22.0 t -61.43 -45.81 97.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 63.0 110.979 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.59 -35.7 80.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 71.099999999999994 110.843 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.529 ' CZ ' HG11 ' A' ' 13' ' ' VAL . 18.9 m-85 -68.2 -33.07 73.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 74.200000000000003 110.88 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.776 HD13 ' O ' ' A' ' 64' ' ' LEU . 1.9 tm? -67.66 -34.79 77.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 64.400000000000006 110.861 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.61 -41.76 83.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 73.200000000000003 110.842 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.749 ' O ' HD13 ' A' ' 70' ' ' LEU . 4.9 ttt180 -60.09 -43.07 95.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 72.299999999999997 110.849 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.432 ' HB1' HD21 ' B' ' 125' ' ' LEU . . . -59.81 -50.63 73.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 73.299999999999997 111.036 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -58.69 -52.11 67.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 75.5 110.792 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.3 tttp -61.67 -30.96 71.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 74.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.749 HD13 ' O ' ' A' ' 66' ' ' ARG . 5.6 mp -71.16 -34.66 71.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 74.400000000000006 110.843 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.422 ' N ' HD12 ' A' ' 29' ' ' LEU . 1.2 ttpp -63.0 -46.21 88.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 73.200000000000003 110.872 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.58 -30.83 71.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 64.099999999999994 110.976 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' A' ' 25' ' ' TYR . 29.5 t80 -60.18 -45.4 93.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 74.299999999999997 110.849 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.687 HD13 ' HG2' ' A' ' 26' ' ' GLU . 5.1 mt -84.49 -31.4 24.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.214 -0.448 . . . . 74.400000000000006 110.926 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.082 -0.508 . . . . 74.400000000000006 111.018 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.825 0.345 . . . . 72.299999999999997 110.933 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -80.37 -25.45 39.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 72.299999999999997 111.096 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -57.26 -60.4 3.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.347 -0.388 . . . . 62.200000000000003 111.091 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.912 HD22 HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -72.47 -31.03 65.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 61.200000000000003 110.901 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 38.6 t -60.45 -48.31 82.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 70.400000000000006 110.885 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -63.6 -45.69 89.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 64.099999999999994 110.908 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 43.5 mtt-85 -63.84 -31.45 72.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 75.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.621 ' CD2' HD23 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -60.02 -54.0 51.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 74.5 110.953 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.42 -37.3 80.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 54.100000000000001 111.051 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.62 -34.39 74.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 64.299999999999997 111.132 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.432 HD21 ' HB1' ' A' ' 67' ' ' ALA . 1.6 tp -60.55 -43.24 97.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 64.400000000000006 110.85 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 15.4 mtm105 -71.3 135.37 47.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 63.200000000000003 110.88 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.206 -0.902 . . . . 53.5 110.936 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.83 0.347 . . . . 71.200000000000003 110.917 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.32 -48.57 27.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 70.400000000000006 110.878 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -60.42 -45.61 92.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 71.5 110.97 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -64.41 -31.56 72.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 73.400000000000006 110.889 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.648 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -61.59 -56.79 16.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 75.400000000000006 111.112 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.1 mt -62.72 -38.57 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 71.099999999999994 111.024 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.81 -46.09 90.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 74.200000000000003 111.168 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.756 ' CB ' ' HB2' ' A' ' 35' ' ' ALA . 25.1 mt -61.9 -40.45 95.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 71.400000000000006 110.854 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 9' ' ' ALA . 35.2 t -65.01 -44.01 96.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 71.400000000000006 111.026 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.5 m -54.93 -37.85 66.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 73.200000000000003 111.052 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.501 ' HB2' HD22 ' A' ' 31' ' ' LEU . 2.3 mmtp -72.49 -30.18 64.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 75.200000000000003 110.878 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.414 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -75.89 -42.82 48.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 54.399999999999999 111.015 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -38.23 83.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 52.299999999999997 110.599 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -72.66 -32.61 65.97 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.539 -0.3 . . . . 74.200000000000003 110.728 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -76.92 -48.56 17.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.643 0.258 . . . . 62.5 110.841 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.777 ' OD2' HD11 ' A' ' 70' ' ' LEU . 4.3 t0 -58.65 -30.43 67.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.561 -0.291 . . . . 74.400000000000006 110.988 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.1 -22.68 24.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 75.099999999999994 111.052 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.57 29.77 2.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.786 0.327 . . . . 52.299999999999997 111.319 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt 59.33 41.96 18.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 73.299999999999997 111.06 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -128.11 76.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.236 -0.438 . . . . 75.200000000000003 110.777 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.619 ' CD1' HD22 ' A' ' 70' ' ' LEU . 17.2 m-85 -73.12 -34.15 65.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 74.400000000000006 110.961 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -67.8 -38.24 83.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 72.5 110.863 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.588 ' O ' HD12 ' A' ' 31' ' ' LEU . 2.0 tp10 -82.96 -32.15 27.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 74.400000000000006 110.941 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.408 ' HB2' ' N ' ' A' ' 20' ' ' ASP . . . -74.32 -34.31 63.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 62.5 111.117 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.704 ' CD2' ' HB1' ' A' ' 67' ' ' ALA . 3.4 tm? -65.93 -55.56 16.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 61.299999999999997 110.962 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.3 ppt_? -59.37 -33.21 70.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 73.0 110.963 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.588 HD12 ' O ' ' A' ' 27' ' ' GLU . 33.0 mt -75.74 -31.39 59.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 62.299999999999997 110.965 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.864 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.2 m-85 -73.89 -48.56 30.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 71.299999999999997 110.93 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -59.56 -37.8 79.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 64.5 110.963 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.571 ' HB3' HD22 ' A' ' 12' ' ' LEU . 1.9 t-80 -64.2 -43.3 95.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 74.200000000000003 110.926 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.756 ' HB2' ' CB ' ' A' ' 12' ' ' LEU . . . -71.51 -45.11 63.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 52.299999999999997 111.134 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 32' ' ' TYR . 31.2 t -61.12 -37.72 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 62.200000000000003 111.106 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -40.12 94.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 71.200000000000003 110.894 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -71.05 -33.56 70.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 62.100000000000001 110.885 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.529 ' CZ ' ' HB1' ' A' ' 9' ' ' ALA . 2.6 m-85 -60.43 -54.11 49.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 63.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.666 ' HA ' HD12 ' A' ' 43' ' ' ILE . 44.9 mt -60.13 -35.79 76.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 74.400000000000006 110.882 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -61.09 -31.38 71.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 72.5 110.941 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.8 -29.98 45.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 74.400000000000006 111.132 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.707 HD11 HG22 ' A' ' 56' ' ' ILE . 21.6 mt -74.11 -32.01 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 61.299999999999997 111.08 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -32.12 40.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 72.200000000000003 110.958 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -80.44 -75.01 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.299999999999997 110.892 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -130.78 123.17 28.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 74.400000000000006 110.799 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.543 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -119.81 173.86 6.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.077 -0.511 . . . . 74.099999999999994 111.323 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -90.93 -48.79 6.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.988 -0.551 . . . . 75.400000000000006 110.914 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.28 179.6 1.21 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.317 -0.402 . . . . 50.200000000000003 111.231 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.5 -51.41 69.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.953 0.406 . . . . 75.099999999999994 110.865 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.6 tttm -59.99 -52.31 65.94 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.066 -0.516 . . . . 74.200000000000003 110.699 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.83 -44.12 94.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 44.200000000000003 111.036 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.543 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 2.1 mtmp? -59.73 -42.57 93.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.01 -0.541 . . . . 63.100000000000001 110.868 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.68 -31.59 70.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.382 -0.372 . . . . 64.5 110.882 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.5 t -69.7 -35.69 75.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.198 -0.456 . . . . 64.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.707 HG22 HD11 ' A' ' 43' ' ' ILE . 29.9 mt -73.07 -30.92 33.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 71.400000000000006 111.058 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.777 ' O ' HG23 ' A' ' 61' ' ' VAL . 3.5 mpp_? -72.32 -50.08 29.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 71.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.04 -45.34 75.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 71.299999999999997 111.137 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.574 ' HE2' HG23 ' A' ' 56' ' ' ILE . 14.5 pttt -64.93 -32.49 74.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 62.200000000000003 110.758 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 52.9 m -73.4 -43.46 60.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 71.299999999999997 110.913 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.949 HG22 HD22 ' B' ' 118' ' ' LEU . 21.4 t -58.63 -37.87 67.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 62.299999999999997 111.12 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -70.78 -36.26 72.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 71.299999999999997 110.895 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -67.16 -32.04 72.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 72.299999999999997 110.923 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.504 HD21 ' HB3' ' B' ' 121' ' ' ARG . 0.6 OUTLIER -72.81 -35.74 67.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 74.200000000000003 110.875 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.41 -54.37 46.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 54.100000000000001 110.849 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -43.65 95.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 72.5 110.856 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.704 ' HB1' ' CD2' ' A' ' 29' ' ' LEU . . . -58.19 -45.67 87.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 61.100000000000001 111.072 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -56.89 -35.39 68.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 73.099999999999994 110.746 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -78.59 -28.92 45.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.037 -0.528 . . . . 65.299999999999997 111.032 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.777 HD11 ' OD2' ' A' ' 20' ' ' ASP . 31.8 mt -66.01 -49.04 69.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.352 -0.386 . . . . 74.200000000000003 110.82 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -65.31 -43.22 91.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 73.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.48 -31.2 71.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 75.099999999999994 110.892 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -64.71 -53.31 49.32 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 121.109 0.48 . . . . 74.099999999999994 111.242 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.0 mt -66.76 -31.53 72.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.963 -0.562 . . . . 75.200000000000003 110.942 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 . . . . . 0 C--N 1.322 -0.589 0 CA-C-O 121.034 0.445 . . . . 45.399999999999999 111.1 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 115' ' ' GLU . . . . . 0.477 ' HA ' HD21 ' B' ' 118' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.786 0.327 . . . . 73.200000000000003 110.882 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -74.7 -41.08 60.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 62.5 110.912 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -57.01 10.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 63.399999999999999 110.907 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.949 HD22 HG22 ' A' ' 61' ' ' VAL . 3.8 pp -60.16 -36.89 78.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 70.099999999999994 110.903 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 6.0 m -63.21 -40.0 96.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 73.200000000000003 110.911 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 55.1 ttt-85 -60.47 -41.64 94.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 61.299999999999997 110.907 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 121' ' ' ARG . . . . . 0.504 ' HB3' HD21 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -60.39 -40.38 90.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 64.299999999999997 110.906 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.509 ' CD1' HG12 ' A' ' 36' ' ' VAL . 1.6 tt -60.32 -44.44 95.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 75.099999999999994 110.914 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.99 93.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 54.5 111.114 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.34 -31.11 70.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 61.399999999999999 111.131 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' B' ' 125' ' ' LEU . 8.2 tp -60.25 -58.02 10.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 74.5 110.892 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.03 -31.71 72.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 74.400000000000006 110.886 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.22 -0.895 . . . . 74.400000000000006 110.936 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.8 m . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.865 0.364 . . . . 64.200000000000003 110.838 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.436 ' O ' HD12 ' A' ' 10' ' ' ILE . 4.5 mm? -63.9 -46.1 86.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 75.400000000000006 110.923 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -48.32 82.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 33.299999999999997 110.946 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -64.77 -31.65 72.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 72.200000000000003 110.721 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.1 -56.45 12.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 74.299999999999997 111.161 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.436 HD12 ' O ' ' A' ' 6' ' ' LEU . 3.8 mt -59.23 -35.31 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 65.099999999999994 111.058 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -59.35 -42.39 91.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 75.099999999999994 110.864 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.723 HD22 ' CB ' ' A' ' 34' ' ' HIS . 5.2 mt -64.63 -36.42 84.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.502 . . . . 63.299999999999997 110.872 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.463 HG11 ' CZ ' ' A' ' 63' ' ' TYR . 25.8 t -66.09 -48.82 80.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 51.200000000000003 111.06 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.78 -26.8 66.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 75.200000000000003 111.004 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.711 ' CB ' HD22 ' A' ' 31' ' ' LEU . 9.8 mmmt -76.15 -32.46 59.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 74.099999999999994 110.838 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.573 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -76.27 -44.44 37.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 44.100000000000001 111.14 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 18' ' ' GLU . 10.9 t -60.08 -46.62 88.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 73.5 110.935 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.437 ' N ' HG23 ' A' ' 17' ' ' THR . 12.5 pt-20 -59.75 -45.35 92.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 75.0 110.707 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.86 -30.28 70.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 73.299999999999997 110.67 179.646 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.84 -34.56 77.58 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.865 -0.607 . . . . 74.299999999999997 110.932 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.04 -24.19 23.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 70.400000000000006 111.244 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.65 25.34 4.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.156 -0.475 . . . . 65.200000000000003 111.334 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.8 mttt 54.71 68.17 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.482 -0.326 . . . . 70.099999999999994 111.066 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -143.07 60.94 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.913 0.387 . . . . 64.400000000000006 110.858 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.663 ' HA ' HD22 ' A' ' 70' ' ' LEU . 13.8 m-85 -64.64 -31.48 72.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 61.100000000000001 110.854 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -71.28 -36.29 71.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.779 0.324 . . . . 74.400000000000006 110.853 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -83.0 -45.97 13.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 72.299999999999997 110.956 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.79 -30.49 65.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 53.200000000000003 111.218 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.533 HD11 ' HB2' ' A' ' 71' ' ' LYS . 4.8 tt -63.26 -56.37 17.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.413 . . . . 73.299999999999997 110.905 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -59.31 -34.58 72.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 72.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.711 HD22 ' CB ' ' A' ' 15' ' ' LYS . 9.5 mt -72.59 -31.18 64.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 65.5 110.897 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.573 ' CE2' ' HB1' ' A' ' 16' ' ' ALA . 6.8 m-85 -73.08 -45.47 57.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 74.400000000000006 110.913 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.784 ' OE1' HD23 ' B' ' 125' ' ' LEU . 16.4 mt-30 -59.5 -38.87 82.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 74.099999999999994 110.93 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.723 ' CB ' HD22 ' A' ' 12' ' ' LEU . 42.9 m-70 -66.88 -44.37 81.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 74.200000000000003 110.904 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.11 -57.48 12.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 54.0 111.101 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.896 HG11 HD12 ' A' ' 64' ' ' LEU . 21.6 t -59.6 -41.15 84.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 63.0 111.091 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -60.25 -50.29 74.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 74.200000000000003 110.88 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -63.45 -31.44 72.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 64.200000000000003 110.877 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -69.28 -43.03 74.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 75.099999999999994 110.916 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.858 ' HA ' HD12 ' A' ' 43' ' ' ILE . 85.7 mt -60.2 -35.59 75.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 75.400000000000006 110.891 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -74.36 -31.25 62.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 64.299999999999997 110.893 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.75 -30.84 67.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 63.100000000000001 111.15 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.858 HD12 ' HA ' ' A' ' 40' ' ' LEU . 6.0 mt -71.86 -54.96 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 71.099999999999994 111.061 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -31.52 70.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 72.200000000000003 110.926 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -76.94 -74.47 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 50.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -134.83 121.62 20.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 73.299999999999997 110.666 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -118.32 150.82 38.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.101 -0.499 . . . . 51.200000000000003 111.008 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -68.14 -66.75 0.53 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.048 -0.524 . . . . 75.400000000000006 111.038 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 p -160.75 -177.52 6.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.082 -0.508 . . . . 51.299999999999997 110.982 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -64.77 -47.98 76.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.951 0.405 . . . . 64.200000000000003 111.039 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -60.52 -45.73 92.73 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.991 -0.55 . . . . 64.299999999999997 111.039 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.518 ' O ' HD12 ' A' ' 56' ' ' ILE . . . -63.9 -40.76 97.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 74.299999999999997 111.127 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -60.39 -31.5 70.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.969 -0.56 . . . . 73.299999999999997 110.744 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -71.41 -39.17 71.27 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.278 -0.419 . . . . 73.299999999999997 110.884 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.4 t -71.03 -46.2 62.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 64.299999999999997 110.798 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 52' ' ' ALA . 4.5 mt -62.37 -31.29 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 51.299999999999997 111.007 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.594 ' O ' HG23 ' A' ' 61' ' ' VAL . 20.6 mtp180 -65.63 -51.06 62.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 72.400000000000006 110.878 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.04 -32.97 66.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 71.200000000000003 111.103 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -71.45 -30.77 66.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 110.847 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 70.8 m -79.52 -46.26 17.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 74.400000000000006 110.898 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.954 HG22 HD22 ' B' ' 118' ' ' LEU . 21.8 t -58.86 -31.57 45.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 73.099999999999994 111.131 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -78.18 -41.55 34.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 74.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.463 ' CZ ' HG11 ' A' ' 13' ' ' VAL . 9.4 m-85 -71.17 -31.73 68.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 74.200000000000003 110.889 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.896 HD12 HG11 ' A' ' 36' ' ' VAL . 2.4 tt -70.34 -40.79 73.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 62.299999999999997 110.866 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -65.74 -34.4 78.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 72.299999999999997 110.912 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -67.79 -39.7 84.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 74.299999999999997 110.885 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.748 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -59.64 -50.51 73.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 53.399999999999999 111.128 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.474 ' HA ' HD11 ' B' ' 125' ' ' LEU . 6.9 pt-20 -60.21 -31.8 70.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 72.200000000000003 110.905 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 57.3 tttt -66.97 -40.84 87.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 72.5 110.93 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.748 HD12 ' HA ' ' A' ' 67' ' ' ALA . 4.1 mt -64.82 -31.89 73.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 71.200000000000003 110.904 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.533 ' HB2' HD11 ' A' ' 29' ' ' LEU . 8.3 tttt -66.16 -44.21 84.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 73.400000000000006 110.885 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.63 -31.27 66.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 74.099999999999994 110.875 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.5 ' CE1' ' CE2' ' A' ' 25' ' ' TYR . 12.8 t80 -60.31 -42.33 95.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.971 -0.559 . . . . 72.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.5 mt -83.74 -40.6 18.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.154 -0.475 . . . . 75.099999999999994 110.985 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 63.299999999999997 111.178 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 115' ' ' GLU . . . . . 0.622 ' HA ' HD21 ' B' ' 118' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.769 0.318 . . . . 75.400000000000006 110.879 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -69.88 -30.09 67.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 64.299999999999997 110.984 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -59.06 -60.36 4.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 74.099999999999994 110.955 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.954 HD22 HG22 ' A' ' 61' ' ' VAL . 1.0 OUTLIER -71.85 -29.68 64.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 72.099999999999994 110.954 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 38.2 t -60.98 -41.81 97.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 43.100000000000001 110.926 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 26.1 mtm180 -70.83 -43.0 69.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 63.100000000000001 110.877 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -60.59 -31.95 71.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 71.200000000000003 110.904 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.409 ' HB2' HD11 ' A' ' 64' ' ' LEU . 1.4 tt -70.3 -43.31 70.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 61.399999999999999 110.864 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.07 -31.3 69.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 73.200000000000003 111.074 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.67 -34.47 53.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 64.299999999999997 111.078 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.784 HD23 ' OE1' ' A' ' 33' ' ' GLN . 3.4 tp -64.34 -46.33 83.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 74.200000000000003 110.916 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.74 -31.72 52.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 72.400000000000006 110.864 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 38.1 t30 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.213 -0.898 . . . . 71.299999999999997 110.874 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.5 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.804 0.335 . . . . 73.099999999999994 110.871 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.475 ' O ' HD12 ' A' ' 10' ' ' ILE . 4.4 mm? -73.49 -47.93 37.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 74.099999999999994 110.905 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -60.34 -39.89 88.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.221 -0.445 . . . . 75.400000000000006 110.783 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -72.17 -37.85 69.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 63.200000000000003 110.882 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.14 -47.13 84.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 73.200000000000003 111.082 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.475 HD12 ' O ' ' A' ' 6' ' ' LEU . 4.6 mt -63.55 -49.43 82.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 53.5 111.079 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.47 -31.2 69.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 70.400000000000006 110.927 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.424 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 27.5 mt -71.1 -51.1 27.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 62.399999999999999 110.894 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.627 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 11.8 p -66.75 -34.75 72.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 74.299999999999997 111.14 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 73.6 m -59.2 -55.54 33.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 70.299999999999997 110.893 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 mttp -60.69 -31.31 70.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 72.5 110.887 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.546 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -67.07 -41.27 86.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 72.0 111.106 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.21 -43.11 96.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 62.0 110.724 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -62.15 -39.43 92.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.938 0.399 . . . . 72.400000000000006 110.844 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.89 -51.72 68.8 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.244 -0.435 . . . . 74.299999999999997 110.846 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -57.74 -29.93 65.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 54.299999999999997 111.075 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -78.99 -26.25 43.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.389 -0.368 . . . . 63.399999999999999 110.871 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.05 29.46 3.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.75 0.31 . . . . 74.299999999999997 111.257 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 mttt 59.01 36.68 24.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 73.299999999999997 111.062 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -121.55 77.52 1.35 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.22 -0.446 . . . . 72.200000000000003 110.933 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.489 ' CD1' HD22 ' A' ' 70' ' ' LEU . 24.7 m-85 -74.7 -31.29 61.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.019 -0.537 . . . . 73.200000000000003 110.92 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.45 ' N ' HD11 ' A' ' 74' ' ' LEU . 5.6 tp10 -62.64 -52.03 64.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.394 -0.366 . . . . 74.099999999999994 110.808 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -71.31 -41.1 70.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 72.099999999999994 110.892 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.01 -46.26 90.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 51.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.549 HD13 ' C ' ' A' ' 29' ' ' LEU . 3.5 tm? -59.71 -46.38 89.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 61.100000000000001 110.848 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.0 mmt-85 -60.1 -48.9 79.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 70.099999999999994 110.955 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.546 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 11.2 mt -70.71 -31.29 68.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 64.099999999999994 110.974 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.507 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.2 m-85 -59.88 -60.81 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 74.5 110.915 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.644 ' HB3' HD23 ' B' ' 125' ' ' LEU . 16.0 pt20 -59.62 -31.21 69.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 75.0 110.932 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -67.95 -40.82 83.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 71.299999999999997 110.938 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.507 ' HB2' ' N ' ' A' ' 13' ' ' VAL . . . -68.69 -37.06 79.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 71.299999999999997 111.102 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 32' ' ' TYR . 24.9 t -73.78 -35.49 43.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 73.099999999999994 111.131 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.619 ' HG2' HD21 ' B' ' 122' ' ' LEU . 1.5 tm-20 -60.04 -44.1 94.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 75.099999999999994 110.907 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -69.7 -34.81 74.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 72.400000000000006 110.903 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -60.3 -50.62 72.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 73.299999999999997 110.869 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.513 ' CD1' HD13 ' B' ' 122' ' ' LEU . 75.5 mt -59.14 -40.86 86.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 62.200000000000003 110.928 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -60.19 -31.17 69.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 71.5 110.874 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.95 -33.66 66.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 75.099999999999994 111.134 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.963 HD11 HG21 ' A' ' 56' ' ' ILE . 31.7 mt -71.37 -51.48 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 61.5 111.115 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.425 ' HE3' ' CD1' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -60.1 -35.89 76.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 74.099999999999994 110.936 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.425 ' CD1' ' HE3' ' A' ' 44' ' ' LYS . 4.5 m-85 -75.39 -31.58 60.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 60.5 110.864 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -165.53 154.9 12.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 55.100000000000001 110.858 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.13 132.72 5.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.131 -0.486 . . . . 65.299999999999997 111.289 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -63.55 -74.72 0.09 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 64.200000000000003 110.672 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.9 m -144.67 -178.23 5.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.295 -0.411 . . . . 52.299999999999997 111.107 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -64.97 -37.97 89.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.341 -0.391 . . . . 65.299999999999997 110.899 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -60.11 -52.63 64.51 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.262 -0.426 . . . . 75.200000000000003 110.71 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.84 -42.81 94.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 64.400000000000006 111.219 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -60.53 -33.01 72.02 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 121.024 0.44 . . . . 73.299999999999997 111.075 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -64.89 -43.41 93.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.092 -0.504 . . . . 71.299999999999997 110.929 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.0 t -60.4 -37.8 81.96 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.964 -0.562 . . . . 73.299999999999997 111.172 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.963 HG21 HD11 ' A' ' 43' ' ' ILE . 32.3 mt -71.42 -35.86 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 116.34 -0.391 . . . . 75.5 110.991 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -61.83 -55.38 30.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 74.200000000000003 110.857 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.495 ' HA ' HG12 ' A' ' 61' ' ' VAL . . . -59.84 -30.73 69.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 61.0 111.088 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 6.5 ttmt -74.76 -31.64 61.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 70.200000000000003 110.751 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 99.8 m -80.62 -45.68 16.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 71.200000000000003 110.897 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 58' ' ' ALA . 12.4 p -58.47 -38.33 69.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 74.5 111.102 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -72.35 -40.57 67.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 64.400000000000006 110.836 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.627 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 2.9 m-85 -64.81 -32.28 73.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 63.399999999999999 110.857 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.413 ' CD1' HG11 ' A' ' 36' ' ' VAL . 1.9 mp -72.11 -36.02 69.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 75.299999999999997 110.799 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.44 -52.44 65.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 55.399999999999999 110.892 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -41.33 97.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 63.399999999999999 110.847 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.411 ' HB1' ' CD2' ' A' ' 29' ' ' LEU . . . -57.53 -45.68 84.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 55.100000000000001 111.059 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -58.97 -37.14 76.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 74.099999999999994 110.754 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.29 -30.4 54.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.067 -0.515 . . . . 73.200000000000003 111.065 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.489 HD22 ' CD1' ' A' ' 25' ' ' TYR . 27.9 mt -69.21 -53.03 22.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 73.5 110.865 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -60.89 -37.92 83.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 61.399999999999999 110.902 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -73.66 -30.42 62.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 71.200000000000003 110.91 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.457 ' CE1' ' CE2' ' A' ' 25' ' ' TYR . 46.3 t80 -59.87 -45.37 92.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.099 -0.5 . . . . 74.5 110.893 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.45 HD11 ' N ' ' A' ' 26' ' ' GLU . 4.0 mt -76.19 -31.56 58.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.114 -0.494 . . . . 74.200000000000003 110.994 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 116.219 -0.446 . . . . 65.400000000000006 110.88 -179.933 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 115' ' ' GLU . . . . . 0.565 ' HA ' HD21 ' B' ' 118' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.831 0.348 . . . . 61.100000000000001 110.911 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -67.22 -30.26 70.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 75.099999999999994 110.923 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -59.35 -60.43 3.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 71.200000000000003 110.944 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.58 HD23 ' H ' ' B' ' 118' ' ' LEU . 0.8 OUTLIER -72.93 -30.84 64.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 62.100000000000001 110.937 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 40.1 t -60.21 -47.29 86.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 75.200000000000003 110.872 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 11.7 mtt85 -67.42 -39.14 85.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 63.200000000000003 110.884 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -66.19 -36.99 84.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 75.200000000000003 110.851 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.619 HD21 ' HG2' ' A' ' 37' ' ' GLU . 7.8 tt -60.92 -45.56 94.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 74.200000000000003 110.889 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.2 -53.53 56.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 70.200000000000003 111.095 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.87 -30.14 68.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 73.299999999999997 111.106 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.644 HD23 ' HB3' ' A' ' 33' ' ' GLN . 5.5 tp -59.54 -50.88 72.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 71.299999999999997 110.965 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 4.7 ptt-85 -79.65 -30.93 41.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 71.299999999999997 110.91 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.254 -0.879 . . . . 63.200000000000003 110.889 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.9 m . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 120.8 0.333 . . . . 72.200000000000003 110.827 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.26 -44.57 75.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 61.299999999999997 110.878 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -30.98 70.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 72.200000000000003 111.201 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -81.9 -38.35 25.44 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.134 -0.485 . . . . 63.299999999999997 111.158 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.14 87.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 73.400000000000006 111.117 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.0 mt -77.46 -43.67 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 44.399999999999999 111.135 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -59.55 -31.59 69.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 75.400000000000006 110.912 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.82 HD22 ' HB3' ' A' ' 34' ' ' HIS . 16.5 mt -71.82 -56.13 6.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 63.5 110.918 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.702 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 11.7 p -59.78 -35.12 58.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 73.5 111.098 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.7 m -60.19 -47.1 87.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 75.0 110.821 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.7 mttt -65.85 -33.68 76.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 64.299999999999997 110.881 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.516 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -66.98 -31.3 71.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 70.200000000000003 111.052 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.74 -50.65 48.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 71.200000000000003 110.779 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -61.5 -32.98 73.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 73.299999999999997 111.074 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -54.75 42.01 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 115.894 -0.594 . . . . 70.400000000000006 111.001 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -57.8 -30.55 65.78 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.241 -0.436 . . . . 72.5 110.713 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -76.59 -27.47 55.82 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.053 -0.521 . . . . 75.0 110.937 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.57 29.39 3.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.44 -0.345 . . . . 70.299999999999997 111.098 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt 58.85 38.27 24.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.419 . . . . 73.400000000000006 110.929 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -122.26 79.2 1.57 Allowed 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.221 -0.445 . . . . 72.299999999999997 110.874 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.492 ' CE2' ' CE1' ' A' ' 73' ' ' TYR . 26.4 m-85 -77.47 -35.36 53.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.413 -0.358 . . . . 75.0 110.744 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.503 ' CA ' HD11 ' A' ' 74' ' ' LEU . 1.5 tt0 -67.7 -33.11 74.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.828 0.347 . . . . 62.200000000000003 110.862 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -83.01 -34.81 26.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 73.299999999999997 110.851 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.56 -38.03 86.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 55.399999999999999 111.132 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.709 HD23 ' O ' ' A' ' 29' ' ' LEU . 3.2 tt -60.23 -38.14 82.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 62.100000000000001 110.906 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -65.0 -54.95 22.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 64.5 110.869 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.516 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 3.8 mm? -60.26 -31.83 70.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 73.400000000000006 110.904 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.798 ' O ' HG23 ' A' ' 36' ' ' VAL . 5.4 m-85 -70.44 -31.52 68.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 65.099999999999994 110.875 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.553 ' HG2' HD23 ' B' ' 125' ' ' LEU . 23.7 mt-30 -72.2 -54.09 10.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 72.5 110.91 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.82 ' HB3' HD22 ' A' ' 12' ' ' LEU . 1.9 t-160 -60.24 -40.4 90.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 45.100000000000001 110.937 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.474 ' HB2' ' CB ' ' A' ' 12' ' ' LEU . . . -59.67 -53.94 52.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 75.299999999999997 111.113 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.977 HG11 HD23 ' A' ' 64' ' ' LEU . 28.5 t -63.54 -36.49 76.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 52.299999999999997 111.047 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -60.42 -48.2 82.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 74.400000000000006 110.867 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -65.52 -31.71 72.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 74.200000000000003 110.899 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -62.77 -50.77 69.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 62.399999999999999 110.896 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.1 mt -60.34 -33.14 71.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 75.299999999999997 110.875 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -78.18 -31.75 49.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 74.299999999999997 110.913 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.18 -40.81 74.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 61.100000000000001 111.034 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.475 HD11 ' CG2' ' A' ' 56' ' ' ILE . 23.5 mt -77.56 -31.19 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 71.5 111.091 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.7 tttp -72.01 -34.34 68.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 70.299999999999997 110.872 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -83.93 -33.12 24.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 73.400000000000006 110.9 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -157.01 137.67 13.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 71.299999999999997 110.779 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.48 174.21 10.84 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.151 -0.477 . . . . 74.5 111.126 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.456 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 2.2 t-80 -104.28 -65.55 1.02 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 71.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.1 -176.71 4.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 53.399999999999999 110.775 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -48.89 78.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.927 -0.579 . . . . 73.0 110.834 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -60.16 -52.94 63.2 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.119 -0.491 . . . . 65.099999999999994 110.832 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.456 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -59.8 -45.09 93.41 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.181 0.515 . . . . 72.400000000000006 111.125 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -60.52 -31.7 70.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 72.5 110.926 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -63.46 -47.4 82.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.248 -0.433 . . . . 72.400000000000006 110.922 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.3 m -60.49 -42.03 95.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 65.299999999999997 111.112 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.475 ' CG2' HD11 ' A' ' 43' ' ' ILE . 31.8 mt -71.43 -33.67 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-O 120.816 0.341 . . . . 74.099999999999994 110.938 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.613 ' O ' HG23 ' A' ' 61' ' ' VAL . 9.6 mtm180 -68.37 -51.75 40.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 75.299999999999997 110.876 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.95 -34.99 68.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 74.099999999999994 111.064 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -70.19 -30.74 67.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 65.200000000000003 110.848 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 79.3 m -78.85 -46.27 18.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 55.299999999999997 110.922 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.703 HG22 HD22 ' B' ' 118' ' ' LEU . 21.8 t -58.52 -31.03 42.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 72.0 111.143 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -77.13 -41.06 43.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 55.399999999999999 110.87 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.702 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 10.5 m-85 -68.91 -34.97 76.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 73.200000000000003 110.864 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.977 HD23 HG11 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -67.48 -42.24 83.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 73.099999999999994 110.899 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -61.04 -39.03 88.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 110.839 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.9 mtp85 -66.1 -33.74 76.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 62.5 110.935 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.454 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -62.27 -51.66 66.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 61.200000000000003 111.098 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.401 ' HA ' HD11 ' B' ' 125' ' ' LEU . 6.3 pt-20 -60.17 -31.52 70.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 61.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -67.21 -39.33 86.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 63.200000000000003 110.917 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 67' ' ' ALA . 11.1 mt -67.13 -34.93 78.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 65.099999999999994 110.903 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.589 ' HB2' HD11 ' A' ' 29' ' ' LEU . 2.6 tttm -63.57 -44.74 93.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 65.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -64.6 -31.48 72.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 63.5 110.877 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.492 ' CE1' ' CE2' ' A' ' 25' ' ' TYR . 38.7 t80 -60.27 -52.52 64.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 70.299999999999997 110.991 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.503 HD11 ' CA ' ' A' ' 26' ' ' GLU . 5.1 mt -73.74 -40.34 63.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.041 -0.527 . . . . 72.0 110.954 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 116.216 -0.447 . . . . 71.299999999999997 110.804 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 115' ' ' GLU . . . . . 0.641 ' HA ' HD21 ' B' ' 118' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.826 0.346 . . . . 72.299999999999997 110.914 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -70.05 -30.18 67.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 63.299999999999997 110.975 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -59.08 -60.37 3.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 71.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.703 HD22 HG22 ' A' ' 61' ' ' VAL . 0.9 OUTLIER -71.59 -29.85 65.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 71.299999999999997 110.949 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 44.6 t -64.82 -39.8 94.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 71.400000000000006 110.892 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -68.74 -45.75 70.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 74.299999999999997 110.899 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -60.32 -31.63 70.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 71.099999999999994 110.912 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.651 ' HG ' HD21 ' A' ' 64' ' ' LEU . 2.0 tt -66.3 -48.02 71.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 62.299999999999997 110.905 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.98 -35.03 74.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 73.099999999999994 111.071 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.86 -31.72 61.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 73.299999999999997 111.079 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.553 HD23 ' HG2' ' A' ' 33' ' ' GLN . 5.7 tp -68.6 -58.04 4.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 65.299999999999997 110.913 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -31.5 72.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 63.299999999999997 110.896 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.221 -0.895 . . . . 75.400000000000006 110.901 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.451 -0.379 0 CA-C-O 120.778 0.323 . . . . 72.200000000000003 110.842 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.15 -53.09 61.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 61.299999999999997 110.85 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -60.01 -43.78 95.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 72.200000000000003 110.755 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.423 ' O ' HD12 ' A' ' 12' ' ' LEU . 23.5 mttt -62.38 -34.67 77.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 63.299999999999997 111.039 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.515 ' HB1' ' CE1' ' A' ' 39' ' ' PHE . . . -69.13 -41.94 76.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 73.400000000000006 111.051 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.3 mt -77.5 -46.03 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 44.399999999999999 111.105 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.82 -33.08 71.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 75.400000000000006 110.897 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.583 HD22 ' HB3' ' A' ' 34' ' ' HIS . 12.1 mt -69.66 -53.82 16.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 63.5 110.884 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.608 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 11.9 p -62.89 -34.96 69.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 73.5 111.092 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.3 m -60.24 -41.42 93.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 75.0 110.841 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -70.54 -31.58 68.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 64.299999999999997 110.852 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.632 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -68.92 -40.85 78.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 70.200000000000003 111.061 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.44 -49.56 76.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 71.200000000000003 110.811 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -60.07 -38.3 82.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 73.299999999999997 110.996 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -62.65 -48.62 78.54 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.959 -0.564 . . . . 70.400000000000006 110.817 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -57.2 -30.07 64.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 72.5 110.971 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.6 mttp -77.27 -26.38 52.37 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.407 -0.36 . . . . 75.0 111.045 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.15 28.79 3.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.085 -0.507 . . . . 70.299999999999997 111.164 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt 58.05 30.9 19.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.132 0.491 . . . . 73.400000000000006 111.129 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -110.07 80.72 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 72.299999999999997 110.949 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.638 ' HB2' HD11 ' A' ' 74' ' ' LEU . 14.8 m-85 -71.16 -38.22 72.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 75.0 110.828 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.717 ' HG2' HD13 ' A' ' 74' ' ' LEU . 32.2 mt-10 -61.98 -60.17 4.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.878 0.37 . . . . 62.200000000000003 110.868 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.491 ' O ' HD23 ' A' ' 31' ' ' LEU . 1.9 mt-10 -62.34 -30.65 71.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 73.299999999999997 110.947 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.84 -30.87 64.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 55.399999999999999 111.155 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.524 HD13 ' C ' ' A' ' 29' ' ' LEU . 3.2 tm? -72.98 -49.03 31.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 62.100000000000001 110.966 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -59.09 -36.84 75.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 64.5 110.938 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.632 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 2.9 mm? -75.43 -31.5 60.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 73.400000000000006 110.843 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.418 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.1 m-85 -71.24 -54.79 9.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 65.099999999999994 110.906 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -59.67 -31.78 69.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 72.5 110.886 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.583 ' HB3' HD22 ' A' ' 12' ' ' LEU . 11.9 m80 -73.91 -35.83 64.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 45.100000000000001 110.879 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.49 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -72.51 -55.13 7.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 75.299999999999997 111.092 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.6 t -59.69 -41.66 86.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 52.299999999999997 111.118 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.695 ' HB2' HD21 ' B' ' 122' ' ' LEU . 5.6 tm-20 -60.01 -39.88 87.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 74.400000000000006 110.926 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -73.97 -31.52 63.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 74.200000000000003 110.887 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.515 ' CE1' ' HB1' ' A' ' 9' ' ' ALA . 3.7 m-85 -66.87 -47.93 70.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 62.399999999999999 110.876 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.901 ' HA ' HD12 ' A' ' 43' ' ' ILE . 78.1 mt -59.93 -44.86 94.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 75.299999999999997 110.922 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -60.36 -31.5 70.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 74.299999999999997 110.916 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.22 -34.29 68.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 61.100000000000001 111.163 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.901 HD12 ' HA ' ' A' ' 40' ' ' LEU . 9.5 mt -69.51 -49.37 60.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 71.5 111.06 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.23 -32.51 71.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 70.299999999999997 110.889 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -80.48 -53.98 6.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 73.400000000000006 110.924 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -137.92 150.03 46.72 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.204 -0.453 . . . . 71.299999999999997 111.07 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.68 171.5 18.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 74.5 111.102 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 64.8 m170 -103.21 -54.23 2.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.306 -0.406 . . . . 71.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.4 m -173.5 -176.04 1.23 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.173 -0.467 . . . . 53.399999999999999 110.94 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.24 -39.88 91.94 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.006 -0.543 . . . . 73.0 110.965 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -60.24 -59.18 5.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.186 -0.461 . . . . 65.099999999999994 110.749 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.14 -43.74 95.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 72.400000000000006 111.211 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -60.16 -31.43 70.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.44 . . . . 72.5 110.97 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -68.1 -46.77 70.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 72.400000000000006 110.884 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.8 m -60.54 -38.31 84.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.277 -0.42 . . . . 65.299999999999997 110.611 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.0 mt -74.54 -31.43 27.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.062 -0.517 . . . . 74.099999999999994 111.064 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.905 ' O ' HG23 ' A' ' 61' ' ' VAL . 22.9 mtt180 -71.59 -48.67 46.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 75.299999999999997 110.882 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.05 -39.85 83.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 74.099999999999994 111.085 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -69.02 -31.33 70.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 65.200000000000003 110.845 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 68.2 m -78.35 -44.61 24.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 55.299999999999997 110.886 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.7 t -58.7 -38.43 71.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 72.0 111.114 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -71.99 -38.33 69.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 55.399999999999999 110.867 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.608 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 4.5 m-85 -67.54 -34.31 76.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 73.200000000000003 110.893 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.456 HD22 ' HB2' ' B' ' 118' ' ' LEU . 15.0 tp -66.89 -41.7 86.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 73.099999999999994 110.856 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.27 -42.2 94.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 74.400000000000006 110.882 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.0 mtp85 -64.4 -32.46 74.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 62.5 110.842 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.642 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -62.42 -55.16 30.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 61.200000000000003 111.13 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -57.75 -30.31 65.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 61.0 110.961 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -71.72 -30.38 65.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 63.200000000000003 110.921 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.642 HD12 ' HA ' ' A' ' 67' ' ' ALA . 5.8 mt -77.63 -50.61 12.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 65.099999999999994 110.895 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -60.42 -32.03 70.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 65.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -77.77 -31.52 52.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 63.5 110.905 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -60.33 -43.91 95.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 70.299999999999997 110.867 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.717 HD13 ' HG2' ' A' ' 26' ' ' GLU . 2.1 mt -84.66 -40.87 16.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.129 0.49 . . . . 72.0 111.064 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 . . . . . 0 CA--C 1.521 -0.169 0 CA-C-N 115.971 -0.559 . . . . 71.299999999999997 111.264 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . 0.612 ' HA ' HD21 ' B' ' 118' ' ' LEU . 2.9 tt0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.872 0.368 . . . . 72.299999999999997 110.884 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.36 -30.32 67.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 63.299999999999997 110.947 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -59.27 -60.39 3.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 71.0 110.961 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.87 HD22 HG22 ' A' ' 61' ' ' VAL . 1.0 OUTLIER -72.24 -29.52 64.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 71.299999999999997 110.94 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 36.7 t -64.86 -35.05 79.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 71.400000000000006 110.93 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.63 -50.37 13.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 74.299999999999997 110.888 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -60.71 -31.9 71.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 71.099999999999994 110.938 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.695 HD21 ' HB2' ' A' ' 37' ' ' GLU . 8.9 tt -69.04 -45.13 71.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 62.299999999999997 110.84 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.85 -31.19 69.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 73.099999999999994 111.096 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.33 -33.65 63.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 73.299999999999997 111.097 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.423 HD21 HD21 ' A' ' 29' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 65.299999999999997 110.958 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.843 0.354 . . . . 72.099999999999994 110.93 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.6 -48.46 77.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 73.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -60.36 -32.26 71.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 63.399999999999999 110.901 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -82.85 -35.2 26.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 74.299999999999997 110.69 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.647 ' HB1' ' CE1' ' A' ' 39' ' ' PHE . . . -60.16 -39.83 87.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 74.099999999999994 111.09 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.6 mt -77.65 -44.16 29.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 74.400000000000006 111.097 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -59.98 -31.27 69.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 72.5 110.941 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.714 HD22 ' HB2' ' A' ' 34' ' ' HIS . 13.6 mt -71.74 -55.74 7.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 63.5 110.917 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.512 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 11.9 p -59.75 -37.76 72.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 72.400000000000006 111.127 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 91.1 m -60.33 -52.22 66.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 60.0 110.831 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.702 ' HB3' HD13 ' A' ' 31' ' ' LEU . 10.9 mttp -61.35 -32.69 72.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 74.400000000000006 110.837 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.418 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -68.11 -39.29 82.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 35.399999999999999 111.106 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.34 -43.38 96.49 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.188 -0.46 . . . . 75.299999999999997 110.775 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -61.91 -40.09 94.28 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.619 -0.264 . . . . 55.0 110.561 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -51.36 70.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.954 0.407 . . . . 75.400000000000006 110.897 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -57.21 -30.3 64.45 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.082 -0.508 . . . . 75.299999999999997 111.117 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -79.61 -26.94 41.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.015 0.436 . . . . 74.400000000000006 111.213 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.54 29.56 3.25 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.69 -0.686 . . . . 54.299999999999997 111.092 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.0 mttm 60.17 39.49 19.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 64.299999999999997 110.717 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -122.2 77.33 1.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.392 -0.367 . . . . 75.5 110.989 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.489 ' CD1' HD22 ' A' ' 70' ' ' LEU . 28.2 m-85 -71.09 -46.12 62.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.861 -0.608 . . . . 73.200000000000003 110.837 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -62.26 -45.74 91.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 74.200000000000003 110.934 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -64.1 -45.34 89.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 75.099999999999994 110.899 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.81 -40.97 90.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 42.100000000000001 111.075 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.723 ' O ' HD13 ' A' ' 29' ' ' LEU . 2.3 tm? -60.19 -38.48 83.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 74.400000000000006 110.892 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.1 mtt-85 -61.26 -53.18 60.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 74.200000000000003 110.92 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.702 HD13 ' HB3' ' A' ' 15' ' ' LYS . 3.8 mt -70.25 -31.89 69.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 74.200000000000003 110.868 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.619 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.2 m-85 -63.28 -46.45 86.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 52.399999999999999 110.878 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -60.31 -49.68 76.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 71.5 110.956 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.714 ' HB2' HD22 ' A' ' 12' ' ' LEU . 16.3 m-70 -60.29 -35.87 76.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 62.200000000000003 110.929 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.655 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -68.2 -52.38 35.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 23.0 111.101 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 32' ' ' TYR . 27.8 t -63.42 -40.61 89.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 72.200000000000003 111.075 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -60.46 -53.64 55.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 61.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -60.27 -31.56 70.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 64.200000000000003 110.922 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.647 ' CE1' ' HB1' ' A' ' 9' ' ' ALA . 4.8 m-85 -62.1 -52.55 63.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 74.200000000000003 110.902 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.668 ' HA ' HD12 ' A' ' 43' ' ' ILE . 41.0 mt -60.3 -31.49 70.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 71.400000000000006 110.941 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -66.5 -35.3 79.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 60.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.54 -29.75 63.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 72.5 111.154 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.668 HD12 ' HA ' ' A' ' 40' ' ' LEU . 21.6 mt -73.91 -31.91 32.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 73.400000000000006 111.138 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.5 pttt -85.2 -41.88 15.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 75.400000000000006 110.926 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -69.97 -74.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 74.200000000000003 110.898 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -128.51 107.63 9.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 71.5 110.725 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.451 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -115.83 139.2 50.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.131 -0.486 . . . . 53.0 111.355 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -60.48 -74.51 0.08 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.042 -0.526 . . . . 71.400000000000006 110.755 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.9 m -153.94 -177.41 6.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 62.299999999999997 110.945 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -59.83 -36.52 76.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.979 0.418 . . . . 51.5 111.165 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -64.77 -47.67 77.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.986 -0.552 . . . . 74.299999999999997 110.809 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.37 -34.74 68.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 71.0 111.238 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.616 ' HG2' HG23 ' A' ' 43' ' ' ILE . 38.2 mtmt -66.95 -31.55 72.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 75.299999999999997 110.967 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -76.11 -39.78 54.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 74.5 110.906 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.4 m -60.26 -40.87 91.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.07 -0.514 . . . . 63.399999999999999 110.903 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.2 mt -75.46 -38.49 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 116.368 -0.378 . . . . 64.200000000000003 110.966 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.694 ' O ' HG23 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -60.51 -56.24 23.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 75.099999999999994 110.891 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.25 -39.7 76.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 65.400000000000006 111.077 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -68.88 -30.32 68.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 43.399999999999999 110.829 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 57.4 m -74.73 -40.62 61.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 74.5 110.867 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.6 t -58.74 -43.65 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 72.099999999999994 111.105 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.93 -35.44 76.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 64.299999999999997 110.896 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.512 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 5.8 m-85 -68.34 -33.43 74.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 72.400000000000006 110.881 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.534 HD13 ' HB2' ' B' ' 118' ' ' LEU . 0.6 OUTLIER -67.4 -41.45 84.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 72.5 110.86 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.69 -43.76 97.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 75.200000000000003 110.869 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.3 mmm-85 -63.62 -33.06 74.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 71.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.618 ' HB1' HD21 ' A' ' 29' ' ' LEU . . . -60.12 -53.97 51.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 72.200000000000003 111.092 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -59.4 -31.11 68.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 64.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.1 tttm -67.58 -31.38 71.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 71.200000000000003 110.901 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.489 HD22 ' CD1' ' A' ' 25' ' ' TYR . 74.8 mt -78.86 -48.56 14.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 60.299999999999997 110.85 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -65.63 -33.15 75.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 64.200000000000003 110.815 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -78.25 -31.18 49.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 71.400000000000006 110.911 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.485 ' CE2' ' CE2' ' A' ' 25' ' ' TYR . 84.5 t80 -60.18 -62.06 2.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.069 -0.514 . . . . 64.0 110.729 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.454 HD11 ' HB2' ' A' ' 25' ' ' TYR . 35.6 mt -65.65 -41.08 92.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.384 -0.371 . . . . 74.099999999999994 110.859 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 74.5 111.22 179.787 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . 0.624 ' HA ' HD21 ' B' ' 118' ' ' LEU . 1.3 tt0 . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.823 0.344 . . . . 71.200000000000003 110.904 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.7 -29.99 67.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 72.299999999999997 110.947 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -58.89 -60.39 3.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 74.200000000000003 110.988 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.69 HD22 HG22 ' A' ' 61' ' ' VAL . 1.0 OUTLIER -71.9 -29.6 64.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 73.299999999999997 110.971 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 40.7 t -61.07 -45.97 92.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 63.200000000000003 110.885 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -69.23 -40.96 77.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 75.400000000000006 110.914 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -60.39 -42.0 94.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 71.299999999999997 110.886 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.42 -45.46 93.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 63.200000000000003 110.925 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.03 -36.44 77.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 75.0 111.071 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.05 -32.54 59.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 73.299999999999997 111.144 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.45 HD21 ' HB1' ' A' ' 67' ' ' ALA . 21.4 tp . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 72.400000000000006 110.893 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 120.795 0.331 . . . . 70.400000000000006 110.817 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.31 -44.21 92.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 72.099999999999994 110.851 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -60.12 -31.39 70.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 43.399999999999999 110.959 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.562 ' O ' HD12 ' A' ' 12' ' ' LEU . 10.1 mmtt -77.96 -32.21 51.32 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.14 -0.482 . . . . 75.200000000000003 111.165 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.29 -37.69 77.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.046 -0.524 . . . . 53.299999999999997 111.099 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.7 mt -77.45 -47.49 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 53.5 111.129 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -60.0 -31.27 69.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 73.099999999999994 110.903 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.626 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 20.3 mt -73.11 -54.93 7.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 64.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.494 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 11.9 p -60.35 -38.21 76.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 63.100000000000001 111.129 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.9 m -59.32 -51.59 69.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 73.5 110.9 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -61.61 -33.7 74.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 75.400000000000006 110.869 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.26 -32.37 73.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 74.5 111.112 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.29 -49.93 65.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 74.400000000000006 110.93 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -59.94 -31.56 69.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 74.400000000000006 110.857 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.557 ' HG3' HD12 ' A' ' 31' ' ' LEU . 18.1 mm-40 -62.26 -54.12 45.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.293 -0.412 . . . . 74.400000000000006 110.887 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -57.17 -30.12 64.22 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.983 -0.553 . . . . 73.0 111.041 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.99 -26.85 48.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.531 -0.304 . . . . 65.099999999999994 110.99 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.11 28.87 3.37 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.116 -0.493 . . . . 44.0 111.307 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? 58.93 38.18 24.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.082 0.467 . . . . 70.299999999999997 111.039 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -123.0 80.46 1.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 75.400000000000006 111.05 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.623 ' CD1' HD22 ' A' ' 70' ' ' LEU . 31.4 m-85 -79.06 -40.51 31.09 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.063 -0.517 . . . . 74.5 110.928 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.61 -35.47 79.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.928 -0.578 . . . . 72.299999999999997 110.871 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -83.02 -31.03 27.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 52.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.63 -41.07 76.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 52.100000000000001 111.118 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 67' ' ' ALA . 3.2 tm? -61.27 -48.86 79.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 70.099999999999994 110.88 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -60.29 -39.41 86.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 73.299999999999997 110.913 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.557 HD12 ' HG3' ' A' ' 19' ' ' GLU . 16.6 mt -74.09 -36.35 64.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 73.299999999999997 110.902 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.444 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.5 m-85 -67.13 -42.06 85.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 71.5 110.921 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.454 ' CD ' HD23 ' B' ' 125' ' ' LEU . 12.7 mt-30 -60.15 -50.21 74.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 73.299999999999997 110.912 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.427 ' C ' HD13 ' A' ' 12' ' ' LEU . 14.2 m80 -62.42 -31.54 72.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 74.200000000000003 110.919 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.626 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -68.37 -59.48 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 74.200000000000003 111.098 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.5 t -59.69 -32.66 49.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 75.0 111.117 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -60.37 -43.46 96.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 63.399999999999999 110.911 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -70.3 -31.68 69.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 71.299999999999997 110.913 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -63.0 -51.87 65.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 72.400000000000006 110.894 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.718 ' HA ' HD12 ' A' ' 43' ' ' ILE . 63.1 mt -59.97 -37.5 79.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 74.400000000000006 110.939 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -69.57 -31.49 69.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 51.5 110.86 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.28 -31.35 60.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 51.100000000000001 111.126 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.788 HD11 HG21 ' A' ' 56' ' ' ILE . 6.0 mt -76.27 -45.26 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 74.5 111.061 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -60.24 -42.79 96.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 75.200000000000003 110.912 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -71.9 -56.68 5.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 72.099999999999994 110.898 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -137.16 179.03 6.63 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.233 -0.439 . . . . 71.5 111.111 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.17 179.41 1.55 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.403 -0.362 . . . . 63.200000000000003 110.976 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -106.63 -67.55 0.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.843 -0.617 . . . . 72.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -152.81 174.65 13.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 71.200000000000003 111.202 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -60.0 -43.17 95.37 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.469 -0.332 . . . . 72.400000000000006 110.945 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.6 tttm -60.65 -50.93 71.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.302 -0.408 . . . . 75.400000000000006 110.959 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.11 -44.0 96.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 41.100000000000001 111.279 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.438 ' HA ' HD12 ' A' ' 56' ' ' ILE . 3.8 mtmp? -60.18 -33.13 71.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.881 -0.6 . . . . 73.299999999999997 110.821 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -70.72 -36.69 73.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.02 0.438 . . . . 64.200000000000003 110.919 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.65 -31.6 72.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.022 -0.536 . . . . 70.200000000000003 110.733 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.788 HG21 HD11 ' A' ' 43' ' ' ILE . 22.9 mt -74.87 -37.13 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.141 -0.481 . . . . 75.5 110.973 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.637 ' O ' HG23 ' A' ' 61' ' ' VAL . 4.7 mpt_? -61.52 -56.33 21.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 64.099999999999994 110.807 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.89 -39.94 75.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 71.200000000000003 111.069 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -66.15 -31.43 72.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 64.400000000000006 110.785 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.427 ' O ' HD12 ' A' ' 64' ' ' LEU . 68.0 m -76.33 -46.97 25.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 63.0 110.915 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.728 HG22 ' HB3' ' B' ' 118' ' ' LEU . 21.6 t -58.87 -42.47 85.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 71.200000000000003 111.088 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -67.35 -35.66 79.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 63.100000000000001 110.875 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.494 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 2.4 m-85 -67.89 -40.44 83.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 62.200000000000003 110.892 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 60' ' ' CYS . 2.6 mp -60.35 -40.54 91.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 62.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.18 -51.53 69.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 73.400000000000006 110.863 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -65.13 -35.47 81.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 75.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.642 ' O ' HD23 ' A' ' 29' ' ' LEU . . . -59.31 -53.27 60.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 63.0 111.098 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -59.66 -31.16 69.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 54.5 110.902 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -66.36 -32.52 73.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 70.200000000000003 110.889 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.623 HD22 ' CD1' ' A' ' 25' ' ' TYR . 77.9 mt -73.19 -49.22 29.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 70.400000000000006 110.845 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.78 -31.37 69.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 73.400000000000006 110.904 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -82.87 -30.92 28.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 72.200000000000003 110.868 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.499 ' CE2' ' CE2' ' A' ' 25' ' ' TYR . 75.2 t80 -60.02 -36.84 78.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 73.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.5 mt -83.53 -40.08 19.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.338 -0.392 . . . . 72.099999999999994 110.919 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 116.26 -0.427 . . . . 73.400000000000006 110.76 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . 0.63 ' HA ' HD21 ' B' ' 118' ' ' LEU . 2.0 tm-20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.808 0.337 . . . . 72.099999999999994 110.927 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -69.96 -29.88 67.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 53.399999999999999 110.975 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -59.07 -60.4 3.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 64.400000000000006 110.978 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.728 ' HB3' HG22 ' A' ' 61' ' ' VAL . 0.9 OUTLIER -70.53 -30.29 67.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 71.5 110.947 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 37.9 m -66.24 -37.37 85.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 54.5 110.908 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 12.3 ttt85 -69.26 -43.46 73.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 72.200000000000003 110.941 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -65.5 -35.23 80.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 73.099999999999994 110.882 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.491 HD13 ' CD1' ' A' ' 40' ' ' LEU . 2.4 tt -60.24 -49.13 78.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 74.200000000000003 110.918 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.14 -37.36 79.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 43.200000000000003 111.129 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.74 -31.39 69.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 63.200000000000003 111.089 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.454 HD23 ' CD ' ' A' ' 33' ' ' GLN . 1.3 tp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 73.200000000000003 110.863 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.784 0.326 . . . . 74.200000000000003 110.89 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.17 -50.23 64.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 70.5 110.949 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -60.54 -41.82 95.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 73.099999999999994 110.791 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -69.67 -33.28 72.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 75.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.435 ' HB1' ' CE1' ' A' ' 39' ' ' PHE . . . -60.13 -51.03 71.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 64.299999999999997 111.098 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.5 mt -66.16 -48.02 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 65.099999999999994 111.066 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.42 -31.36 69.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 74.099999999999994 110.891 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.619 HD22 ' CB ' ' A' ' 34' ' ' HIS . 13.7 mt -71.55 -52.34 18.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 71.400000000000006 110.885 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.43 HG21 ' CE2' ' A' ' 63' ' ' TYR . 11.6 p -65.15 -34.19 68.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 42.100000000000001 111.092 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.5 m -59.8 -50.49 73.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 74.400000000000006 110.856 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.71 ' HB3' HD13 ' A' ' 31' ' ' LEU . 3.4 mmmt -60.06 -35.38 75.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 70.400000000000006 110.856 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.473 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -65.01 -39.9 94.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 71.299999999999997 111.096 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -41.2 93.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 61.299999999999997 110.736 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -63.63 -35.67 81.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.026 0.441 . . . . 74.099999999999994 110.898 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -76.24 -43.89 40.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.94 -0.573 . . . . 64.200000000000003 110.816 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.515 ' OD1' HD11 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -61.92 -31.18 71.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.303 -0.408 . . . . 71.0 111.175 179.675 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.0 -21.24 27.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 63.399999999999999 111.348 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.18 28.59 3.15 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.976 -0.556 . . . . 65.400000000000006 111.394 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.9 mttt 58.78 39.17 24.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 74.099999999999994 110.812 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -126.04 77.97 1.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.031 0.443 . . . . 74.200000000000003 110.864 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.448 ' CD1' HD22 ' A' ' 70' ' ' LEU . 20.2 m-85 -73.32 -31.45 64.01 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.951 -0.568 . . . . 73.299999999999997 110.863 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.446 ' N ' HD11 ' A' ' 74' ' ' LEU . 5.0 tt0 -62.11 -60.06 4.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.452 -0.34 . . . . 72.5 110.94 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -36.03 82.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 74.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.53 -40.72 88.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 34.5 111.147 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.703 ' CD2' ' HB1' ' A' ' 67' ' ' ALA . 3.1 tm? -64.85 -39.3 93.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 74.5 110.92 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -60.05 -54.55 44.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 74.400000000000006 110.852 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.71 HD13 ' HB3' ' A' ' 15' ' ' LYS . 9.1 mt -67.96 -32.09 72.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 74.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.612 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.6 m-85 -64.29 -44.18 92.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 62.5 110.872 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.667 ' HG2' HD23 ' B' ' 125' ' ' LEU . 10.9 mt-30 -60.16 -49.3 78.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 75.099999999999994 110.894 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.619 ' CB ' HD22 ' A' ' 12' ' ' LEU . 69.6 m-70 -60.16 -41.73 93.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 73.400000000000006 110.889 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.537 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -60.02 -51.66 68.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 63.0 111.089 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 32' ' ' TYR . 28.4 t -63.23 -41.07 91.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 55.399999999999999 111.09 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -60.91 -48.86 79.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 75.099999999999994 110.921 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -60.05 -31.47 70.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 62.200000000000003 110.887 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.435 ' CE1' ' HB1' ' A' ' 9' ' ' ALA . 2.8 m-85 -68.74 -51.21 43.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 61.399999999999999 110.923 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.449 HD11 HD12 ' B' ' 122' ' ' LEU . 22.5 mt -60.26 -32.01 70.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 72.400000000000006 110.879 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.402 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 11.5 m80 -72.23 -31.58 65.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 75.200000000000003 110.853 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.78 -30.51 67.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 73.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.4 mt -76.14 -48.69 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 74.400000000000006 111.109 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.27 -47.1 87.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 70.200000000000003 110.956 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.402 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 19.2 m-85 -68.5 -74.16 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 72.299999999999997 110.895 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -131.3 101.06 5.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 70.099999999999994 110.928 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.53 144.65 25.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 41.399999999999999 111.069 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.441 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 1.1 t-80 -61.77 -68.15 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.401 -0.363 . . . . 71.0 110.666 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.4 m -164.34 -175.98 4.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.36 -0.382 . . . . 73.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -62.57 -51.22 68.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.967 -0.56 . . . . 74.299999999999997 110.782 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -60.2 -49.95 75.59 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.858 0.361 . . . . 73.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.441 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -60.13 -36.86 78.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 45.299999999999997 110.997 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt -60.64 -31.72 70.91 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.157 -0.474 . . . . 72.200000000000003 110.801 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -72.12 -41.98 66.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.317 -0.401 . . . . 71.200000000000003 110.924 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.5 m -60.15 -44.91 94.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 42.399999999999999 110.937 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 30.1 mt -72.0 -31.29 39.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.986 -0.552 . . . . 64.299999999999997 111.004 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.883 ' O ' HG23 ' A' ' 61' ' ' VAL . 11.4 mtp180 -65.54 -52.7 50.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 75.299999999999997 110.879 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.87 -37.83 77.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 65.200000000000003 111.105 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -70.31 -32.9 70.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 73.099999999999994 110.919 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 98.3 m -79.26 -45.26 20.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 74.200000000000003 110.93 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.883 HG23 ' O ' ' A' ' 57' ' ' ARG . 27.3 t -59.25 -38.77 76.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 63.299999999999997 111.075 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.34 -39.27 65.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 75.099999999999994 110.884 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.43 ' CE2' HG21 ' A' ' 13' ' ' VAL . 2.4 m-85 -69.4 -33.02 72.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 75.200000000000003 110.867 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.8 HD13 ' HB2' ' B' ' 118' ' ' LEU . 0.6 OUTLIER -67.27 -41.46 85.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 74.200000000000003 110.896 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -60.28 -48.82 80.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 61.299999999999997 110.87 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.3 mmm-85 -59.54 -43.9 93.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 75.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.703 ' HB1' ' CD2' ' A' ' 29' ' ' LEU . . . -55.95 -45.87 78.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 70.099999999999994 111.15 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -57.99 -36.08 72.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 54.100000000000001 110.749 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.3 tttp -77.51 -29.17 52.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.086 -0.506 . . . . 74.299999999999997 111.075 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.515 HD11 ' OD1' ' A' ' 20' ' ' ASP . 30.6 mt -63.53 -52.16 62.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.319 -0.4 . . . . 71.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -32.9 73.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 72.0 110.812 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -74.38 -30.37 61.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 73.099999999999994 110.946 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -64.93 -52.63 55.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 72.099999999999994 110.89 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.446 HD11 ' N ' ' A' ' 26' ' ' GLU . 2.5 mt -59.02 -56.48 21.67 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.164 -0.471 . . . . 63.5 111.065 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.7 ptt180 . . . . . 0 C--N 1.321 -0.664 0 CA-C-N 116.371 -0.377 . . . . 74.299999999999997 110.993 -179.924 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . 0.609 ' HA ' HD21 ' B' ' 118' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.766 0.317 . . . . 54.200000000000003 110.883 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -69.91 -29.88 67.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 63.100000000000001 111.027 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -59.17 -60.4 3.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 65.5 111.005 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.8 ' HB2' HD13 ' A' ' 64' ' ' LEU . 1.0 OUTLIER -72.19 -29.49 64.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 73.400000000000006 110.93 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 34.2 t -60.17 -39.24 85.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.404 . . . . 61.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 11.5 mtt85 -76.1 -38.7 56.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 71.400000000000006 110.907 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -63.17 -34.38 77.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 73.200000000000003 110.903 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.549 ' HB2' HD11 ' A' ' 64' ' ' LEU . 1.2 tt -72.59 -41.23 65.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 53.200000000000003 110.919 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.22 -34.16 73.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 61.299999999999997 111.066 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -85.01 -31.21 23.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 43.399999999999999 111.071 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.667 HD23 ' HG2' ' A' ' 33' ' ' GLN . 10.3 tp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 65.299999999999997 110.898 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.2 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.832 0.348 . . . . 71.5 110.868 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.403 ' O ' HD12 ' A' ' 10' ' ' ILE . 4.0 mm? -62.18 -49.67 74.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 73.5 111.013 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -60.61 -30.68 69.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.257 -0.429 . . . . 52.399999999999999 111.261 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.1 -42.13 19.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.024 -0.535 . . . . 71.0 110.798 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.477 ' HB2' ' HB3' ' A' ' 38' ' ' TYR . . . -59.57 -30.55 68.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 64.299999999999997 111.1 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.403 HD12 ' O ' ' A' ' 6' ' ' LEU . 6.9 mt -80.28 -45.62 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 71.099999999999994 111.089 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -59.88 -31.13 69.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 72.5 110.966 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.692 HD13 HD23 ' A' ' 31' ' ' LEU . 3.5 mm? -74.41 -55.92 5.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 75.299999999999997 110.964 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.752 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 12.6 p -59.15 -38.61 75.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 70.099999999999994 111.132 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.5 m -59.52 -50.26 74.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 63.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.663 ' HB3' HD13 ' A' ' 31' ' ' LEU . 5.5 mmtt -61.65 -31.59 71.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 73.099999999999994 110.836 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.447 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -69.75 -39.31 76.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 51.299999999999997 111.098 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.24 -44.42 95.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 61.299999999999997 110.827 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -63.27 -40.97 98.88 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.478 -0.328 . . . . 73.099999999999994 110.638 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -59.21 -51.46 69.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.895 0.378 . . . . 75.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -57.43 -29.57 64.27 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.967 -0.561 . . . . 75.5 111.186 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -82.05 -26.31 33.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 71.200000000000003 111.044 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.26 29.48 3.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.371 -0.377 . . . . 65.0 111.088 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.7 mttm 58.64 36.06 24.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.096 0.474 . . . . 64.299999999999997 110.909 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -118.42 78.76 1.29 Allowed 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 120.96 0.41 . . . . 71.5 110.881 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.498 ' CE2' ' CE1' ' A' ' 73' ' ' TYR . 23.3 m-85 -76.3 -38.54 55.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.937 -0.574 . . . . 70.5 110.824 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.577 ' CA ' HD11 ' A' ' 74' ' ' LEU . 16.8 pt-20 -61.53 -38.23 86.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.839 0.352 . . . . 73.0 110.836 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.02 -37.29 24.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 71.099999999999994 110.906 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.758 ' HB3' HD23 ' A' ' 70' ' ' LEU . . . -59.75 -47.08 87.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 73.0 111.098 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 29' ' ' LEU . 1.6 tt -60.37 -39.36 86.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 60.399999999999999 110.906 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -60.09 -58.87 6.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 74.400000000000006 110.943 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.692 HD23 HD13 ' A' ' 12' ' ' LEU . 7.5 mt -62.19 -31.53 72.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 72.5 110.91 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.485 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.6 m-85 -66.6 -40.16 88.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 73.400000000000006 110.913 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -60.24 -55.38 34.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 62.399999999999999 110.914 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.445 ' CD2' ' CE2' ' A' ' 38' ' ' TYR . 0.8 OUTLIER -60.24 -33.48 72.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 63.299999999999997 110.934 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.8 -55.42 34.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 64.400000000000006 111.086 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.5 t -59.87 -34.91 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 72.099999999999994 111.113 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -60.25 -52.49 65.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 74.099999999999994 110.917 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.477 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 9.9 m-85 -60.49 -35.82 76.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 65.299999999999997 110.895 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -66.82 -39.84 87.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 75.400000000000006 110.86 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.902 ' HA ' HD12 ' A' ' 43' ' ' ILE . 61.5 mt -60.32 -36.97 79.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 61.100000000000001 110.888 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.31 -31.47 67.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 54.100000000000001 110.955 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.82 -31.04 67.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 71.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.902 HD12 ' HA ' ' A' ' 40' ' ' LEU . 6.9 mt -72.12 -50.78 34.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 64.099999999999994 111.063 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -39.14 87.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 75.400000000000006 110.922 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -94.22 -74.61 0.53 Allowed 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.211 -0.45 . . . . 75.099999999999994 110.807 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.98 -169.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 70.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 61.09 157.94 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.206 -0.452 . . . . 54.100000000000001 111.157 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 51.3 m80 -144.56 -74.74 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.951 0.405 . . . . 72.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.3 p -62.07 153.42 29.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.032 -0.531 . . . . 73.299999999999997 110.968 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -59.79 -32.63 70.79 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.268 0.556 . . . . 63.100000000000001 111.226 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.21 -32.93 71.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.992 -0.549 . . . . 72.200000000000003 110.882 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.42 ' O ' HD12 ' A' ' 56' ' ' ILE . . . -77.41 -37.7 51.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 43.200000000000003 111.034 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.57 ' HG2' HG23 ' A' ' 43' ' ' ILE . 7.4 mtmt -75.72 -31.6 59.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 62.100000000000001 110.914 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -66.66 -49.46 66.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.297 -0.411 . . . . 73.099999999999994 110.855 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.32 -44.51 95.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 73.5 110.772 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.42 HD12 ' O ' ' A' ' 52' ' ' ALA . 18.0 mt -71.83 -42.21 69.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.085 -0.507 . . . . 70.299999999999997 111.044 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.708 ' O ' HG23 ' A' ' 61' ' ' VAL . 34.4 ttm180 -60.39 -54.45 45.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.316 -0.402 . . . . 71.200000000000003 110.874 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.85 -35.75 66.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 32.399999999999999 110.95 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 42.7 mttt -73.55 -31.52 63.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.061 -0.518 . . . . 53.299999999999997 110.69 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 92.0 m -74.79 -37.68 62.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 71.400000000000006 110.829 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 57' ' ' ARG . 30.0 t -62.46 -44.29 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 72.0 110.988 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -67.29 -34.04 76.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 72.299999999999997 110.876 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.752 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 4.8 m-85 -64.22 -37.85 88.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 73.0 110.851 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.59 HD21 ' CG ' ' B' ' 122' ' ' LEU . 11.5 mt -67.64 -38.65 84.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 74.400000000000006 110.826 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.14 -38.32 82.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 52.0 110.848 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -71.12 -31.58 67.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 75.099999999999994 110.931 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.509 ' HB1' HD21 ' B' ' 125' ' ' LEU . . . -61.52 -58.02 9.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 75.099999999999994 111.124 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.06 -31.87 70.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 73.5 110.911 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 tpmt? -60.73 -52.83 63.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 73.099999999999994 110.895 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.758 HD23 ' HB3' ' A' ' 28' ' ' ALA . 8.8 mp -62.48 -33.85 75.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 72.400000000000006 110.859 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.574 ' HB2' HD11 ' A' ' 29' ' ' LEU . 3.1 tttp -62.31 -47.98 81.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 72.400000000000006 110.863 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -61.3 -31.44 71.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 72.299999999999997 110.853 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.498 ' CE1' ' CE2' ' A' ' 25' ' ' TYR . 38.7 t80 -62.59 -44.13 97.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.044 -0.525 . . . . 72.099999999999994 111.04 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.577 HD11 ' CA ' ' A' ' 26' ' ' GLU . 4.3 mt -75.44 -47.91 25.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 63.5 110.85 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 120.975 0.417 . . . . 74.099999999999994 111.098 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . 0.607 ' HA ' HD21 ' B' ' 118' ' ' LEU . 2.8 mt-10 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.858 0.361 . . . . 71.200000000000003 110.944 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -71.52 -29.75 65.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 72.5 110.944 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -58.71 -60.4 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 71.400000000000006 111.008 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.607 HD21 ' HA ' ' B' ' 115' ' ' GLU . 1.1 pt? -71.5 -29.51 64.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 70.200000000000003 110.963 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 42.6 t -63.51 -37.36 87.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 71.099999999999994 110.868 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -44.16 62.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 74.400000000000006 110.938 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -60.4 -31.84 70.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 72.400000000000006 110.894 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.776 HD13 HD11 ' A' ' 40' ' ' LEU . 2.4 tt -73.81 -36.64 65.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 71.200000000000003 110.896 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.51 -42.77 99.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 75.0 111.11 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -70.47 -31.55 68.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 64.5 111.116 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.509 HD21 ' HB1' ' A' ' 67' ' ' ALA . 3.8 tp . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 72.200000000000003 110.893 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 120.811 0.339 . . . . 72.099999999999994 110.844 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.79 -43.32 99.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 73.299999999999997 110.916 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -36.03 77.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 74.299999999999997 111.045 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -79.08 -31.62 44.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 71.099999999999994 110.872 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.86 -39.22 93.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 54.100000000000001 111.069 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.4 mt -78.2 -45.5 26.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 64.5 111.122 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -59.13 -31.59 69.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 73.5 110.916 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.785 HD22 ' HB3' ' A' ' 34' ' ' HIS . 21.4 mt -72.14 -55.95 6.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 70.400000000000006 110.846 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.479 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 11.9 p -60.1 -35.05 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 71.5 111.017 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.0 m -59.96 -47.95 83.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 75.099999999999994 110.823 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -61.2 -31.83 71.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 72.099999999999994 110.859 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.593 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -69.2 -39.19 78.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 64.200000000000003 111.092 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.38 -47.27 86.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 72.200000000000003 110.757 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -60.19 -38.24 82.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 72.299999999999997 110.753 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.42 -50.15 48.48 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.923 0.392 . . . . 71.5 110.811 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -57.9 -33.68 69.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.996 -0.547 . . . . 52.0 110.94 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -88.08 -26.27 22.61 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 116.109 -0.496 . . . . 74.099999999999994 110.945 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.37 30.44 2.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.733 0.301 . . . . 51.299999999999997 111.165 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt 59.15 70.31 0.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.305 0.574 . . . . 54.399999999999999 111.061 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -158.7 73.46 0.63 Allowed 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.085 -0.507 . . . . 72.299999999999997 110.689 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -71.66 -36.2 70.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.845 0.355 . . . . 75.299999999999997 110.879 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.436 ' HB3' HD13 ' A' ' 74' ' ' LEU . 3.3 pt-20 -68.25 -36.45 79.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.97 -0.559 . . . . 65.099999999999994 110.845 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -83.05 -31.18 27.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 74.299999999999997 110.933 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.0 -30.7 68.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 63.100000000000001 111.142 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.537 HD21 ' HB1' ' A' ' 67' ' ' ALA . 2.9 tm? -70.12 -47.81 60.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 73.400000000000006 110.891 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -59.54 -37.02 77.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 74.200000000000003 110.919 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.593 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 3.4 mm? -76.01 -31.76 59.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 61.200000000000003 110.884 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.835 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.9 m-85 -72.65 -42.84 63.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 75.299999999999997 110.91 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -60.29 -51.55 69.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 74.5 110.885 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.785 ' HB3' HD22 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -62.07 -31.57 72.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 72.400000000000006 110.932 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.418 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -74.58 -49.92 19.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 73.0 111.082 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.835 HG23 ' O ' ' A' ' 32' ' ' TYR . 28.6 t -62.65 -39.43 84.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 73.299999999999997 111.059 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.25 -53.09 61.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 73.200000000000003 110.927 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -60.74 -31.55 70.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 75.200000000000003 110.907 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -63.69 -51.97 62.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 75.400000000000006 110.854 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.475 HD11 HD12 ' B' ' 122' ' ' LEU . 62.2 mt -60.04 -31.4 69.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 71.099999999999994 110.907 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -71.9 -31.11 66.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 73.400000000000006 110.869 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.09 -30.64 63.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 64.400000000000006 111.181 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.484 HD11 HG22 ' A' ' 56' ' ' ILE . 22.3 mt -76.61 -46.95 30.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 61.100000000000001 111.127 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -60.17 -44.84 94.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 74.099999999999994 110.911 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -67.17 -43.98 80.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 63.399999999999999 110.893 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -153.45 166.79 31.59 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.188 -0.46 . . . . 64.5 111.211 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.459 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -162.78 137.39 6.53 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.881 0.372 . . . . 75.200000000000003 111.379 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -60.6 -54.27 47.41 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 116.15 -0.477 . . . . 73.200000000000003 110.568 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -172.24 -177.26 1.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.884 0.373 . . . . 64.400000000000006 110.915 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -61.2 -51.35 69.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.951 -0.568 . . . . 73.200000000000003 110.645 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -60.61 -45.16 95.03 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.826 0.346 . . . . 75.400000000000006 111.045 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.68 -37.32 87.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 74.200000000000003 111.07 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.459 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 15.1 mtmt -63.83 -31.71 72.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.922 -0.581 . . . . 73.099999999999994 110.973 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.33 -44.68 71.15 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 115.914 -0.584 . . . . 74.099999999999994 110.942 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.58 -40.64 92.46 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.972 -0.558 . . . . 71.299999999999997 110.902 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.484 HG22 HD11 ' A' ' 43' ' ' ILE . 19.9 mt -71.36 -41.34 73.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 74.099999999999994 111.033 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.672 ' O ' HG23 ' A' ' 61' ' ' VAL . 35.3 ttm180 -69.08 -46.73 67.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 74.5 110.844 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.14 -36.28 68.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 65.5 111.032 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.4 mttt -72.45 -30.39 64.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.029 -0.532 . . . . 71.299999999999997 110.773 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 79.5 m -74.63 -37.08 62.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 62.5 110.846 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.81 HG22 HD22 ' B' ' 118' ' ' LEU . 21.6 t -61.85 -51.08 76.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 71.299999999999997 111.089 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -63.17 -33.52 75.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 75.200000000000003 110.894 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.479 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 2.5 m-85 -67.83 -32.36 72.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 75.299999999999997 110.877 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.5 -46.7 75.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 54.399999999999999 110.838 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.51 -35.13 75.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 65.099999999999994 110.911 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -71.06 -39.06 72.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 74.400000000000006 110.91 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.597 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -59.97 -57.86 11.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 111.058 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.489 ' HB3' HD12 ' B' ' 125' ' ' LEU . 0.5 OUTLIER -57.84 -30.71 65.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 73.0 110.955 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -69.99 -30.72 68.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 63.399999999999999 110.953 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 67' ' ' ALA . 7.4 mt -75.81 -49.44 18.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 74.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -61.25 -31.69 71.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 65.400000000000006 110.88 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -78.29 -31.6 49.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 72.200000000000003 110.878 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -60.36 -43.91 96.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.948 -0.569 . . . . 70.400000000000006 110.822 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.436 HD13 ' HB3' ' A' ' 26' ' ' GLU . 7.5 mt -78.28 -40.46 36.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.084 -0.507 . . . . 74.200000000000003 110.808 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.183 -0.462 . . . . 34.399999999999999 110.841 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.857 0.361 . . . . 65.0 110.947 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -80.03 -25.45 40.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 73.299999999999997 111.118 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.61 -60.37 3.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.376 -0.374 . . . . 64.5 111.06 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.81 HD22 HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -72.98 -31.05 64.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 72.299999999999997 110.984 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 42.6 t -61.74 -39.94 93.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 52.5 110.919 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.84 -46.33 62.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 62.5 110.92 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -60.91 -37.59 82.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 71.400000000000006 110.918 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.475 HD12 HD11 ' A' ' 40' ' ' LEU . 1.6 tt -60.35 -49.38 77.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 54.200000000000003 110.885 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.95 -31.23 69.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 72.200000000000003 111.079 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -81.31 -35.7 30.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 52.399999999999999 111.117 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.489 HD12 ' HB3' ' A' ' 68' ' ' GLU . 9.8 tt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 71.200000000000003 110.88 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.86 0.362 . . . . 72.400000000000006 110.84 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.472 ' CD1' HD11 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -60.5 -46.1 91.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 63.299999999999997 110.876 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -59.73 -32.64 70.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 71.299999999999997 111.127 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -81.34 -31.47 33.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.069 -0.514 . . . . 73.299999999999997 111.366 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.855 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -64.0 -43.54 95.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.047 -0.524 . . . . 61.399999999999999 111.076 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.472 HD11 ' CD1' ' A' ' 6' ' ' LEU . 22.5 mt -75.12 -37.86 41.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 64.400000000000006 111.069 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.27 -41.8 94.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 74.299999999999997 111.258 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.8 mt -66.85 -43.14 84.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 71.200000000000003 110.87 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 9' ' ' ALA . 32.3 t -61.73 -43.89 97.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 72.200000000000003 111.098 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.5 m -57.35 -39.97 77.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 35.100000000000001 110.989 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.552 ' HB3' HD13 ' A' ' 31' ' ' LEU . 24.0 mttt -70.96 -28.41 64.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 63.399999999999999 110.996 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.496 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -77.89 -38.2 46.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 64.400000000000006 111.099 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -49.55 77.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 74.400000000000006 110.731 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.69 -31.54 70.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 71.099999999999994 110.742 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.47 -61.46 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.947 0.403 . . . . 71.400000000000006 110.796 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.618 ' OD2' HD21 ' A' ' 70' ' ' LEU . 11.5 t0 -57.87 -30.45 65.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.966 -0.561 . . . . 75.400000000000006 111.045 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -68.72 -29.71 68.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.872 0.368 . . . . 73.0 110.962 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.13 30.79 2.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.042 -0.526 . . . . 73.0 111.07 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.5 mttm 59.29 70.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.204 0.526 . . . . 74.5 110.932 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -156.02 73.49 0.82 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.139 -0.482 . . . . 75.400000000000006 110.955 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.465 ' HB3' HD22 ' A' ' 70' ' ' LEU . 9.5 m-85 -69.08 -31.17 69.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.838 -0.619 . . . . 74.200000000000003 110.917 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -57.42 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.389 -0.369 . . . . 72.200000000000003 110.875 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -61.24 -40.9 95.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 54.399999999999999 110.919 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.41 90.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 75.400000000000006 111.094 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.78 ' O ' HD13 ' A' ' 29' ' ' LEU . 2.4 tm? -60.45 -33.82 73.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 71.200000000000003 110.86 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -65.05 -58.74 5.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 73.200000000000003 110.885 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.552 HD13 ' HB3' ' A' ' 15' ' ' LYS . 5.6 mt -62.85 -33.3 74.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 72.299999999999997 110.895 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.496 ' CD2' ' HB1' ' A' ' 16' ' ' ALA . 2.3 m-85 -64.01 -41.44 97.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 74.200000000000003 110.927 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -60.1 -51.59 68.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 63.399999999999999 110.93 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -60.05 -38.07 81.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 73.299999999999997 110.902 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.418 ' HB1' HG22 ' A' ' 13' ' ' VAL . . . -59.83 -59.6 5.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 75.400000000000006 111.093 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.5 t -59.66 -37.4 70.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 65.0 111.16 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -60.17 -38.5 83.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 63.5 110.891 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -75.49 -31.46 60.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 63.200000000000003 110.894 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.473 ' O ' HD12 ' A' ' 43' ' ' ILE . 5.1 m-85 -65.04 -49.58 69.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 73.400000000000006 110.841 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.453 ' CD1' HD13 ' B' ' 122' ' ' LEU . 69.2 mt -60.36 -48.1 83.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.425 . . . . 64.400000000000006 110.862 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -60.22 -31.53 70.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 61.399999999999999 110.912 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.44 -53.47 8.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 72.400000000000006 111.092 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.566 HD11 ' CG2' ' A' ' 56' ' ' ILE . 4.6 mt -64.46 -34.07 67.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 64.299999999999997 111.068 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -72.56 -36.56 68.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 72.400000000000006 110.917 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -81.75 -31.75 31.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 72.099999999999994 110.911 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -160.28 142.07 12.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 70.400000000000006 110.683 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.2 151.61 37.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.009 -0.541 . . . . 75.099999999999994 111.184 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -70.2 -61.63 1.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 70.200000000000003 110.777 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.6 m -156.2 178.82 9.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.368 -0.378 . . . . 33.5 110.934 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.48 -48.94 79.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 73.099999999999994 110.989 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.5 tptt -60.38 -48.89 79.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.202 -0.454 . . . . 52.5 110.822 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.596 ' O ' HD12 ' A' ' 56' ' ' ILE . . . -61.08 -34.72 75.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.326 -0.397 . . . . 43.200000000000003 110.8 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -65.43 -31.95 73.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.953 -0.567 . . . . 74.200000000000003 110.718 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -72.6 -43.2 63.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.105 0.479 . . . . 75.200000000000003 110.929 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.3 m -60.44 -52.2 66.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.026 -0.534 . . . . 71.5 110.872 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.596 HD12 ' O ' ' A' ' 52' ' ' ALA . 4.5 mt -62.09 -49.51 83.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.096 -0.502 . . . . 62.0 111.069 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.672 ' O ' HG23 ' A' ' 61' ' ' VAL . 7.4 ttp180 -60.37 -41.51 93.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 75.5 110.869 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.58 -35.3 68.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 74.299999999999997 111.02 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 16.8 mttt -72.63 -31.32 65.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 74.299999999999997 110.745 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 64.0 m -73.8 -37.67 64.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 73.5 110.875 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.787 HG22 HD22 ' B' ' 118' ' ' LEU . 18.8 t -61.42 -50.8 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 63.299999999999997 111.077 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -64.07 -31.36 72.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 64.200000000000003 110.866 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 59' ' ' LYS . 2.2 m-85 -69.28 -31.74 70.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 75.200000000000003 110.925 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.4 mt -69.74 -40.82 75.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 72.400000000000006 110.905 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -60.12 -49.76 76.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 64.099999999999994 110.933 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -65.08 -34.44 78.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 74.200000000000003 110.879 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.599 ' HB1' HD21 ' A' ' 29' ' ' LEU . . . -60.61 -52.97 62.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 73.5 111.163 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -59.56 -31.12 69.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 71.200000000000003 110.929 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.12 -31.56 69.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 60.0 110.93 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.763 ' O ' HD12 ' A' ' 74' ' ' LEU . 48.9 mt -73.17 -55.02 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 72.299999999999997 110.899 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.9 tttm -58.06 -31.62 67.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 63.399999999999999 110.91 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -75.13 -30.41 60.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 75.099999999999994 110.862 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -61.94 -57.3 12.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.926 -0.579 . . . . 74.200000000000003 110.882 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.763 HD12 ' O ' ' A' ' 70' ' ' LEU . 1.7 mp -68.67 -30.7 69.44 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.1 -0.5 . . . . 72.200000000000003 110.643 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.5 ttt85 . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 116.472 -0.331 . . . . 75.0 110.944 179.833 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . 0.419 ' HA ' HD21 ' B' ' 118' ' ' LEU . 2.1 tt0 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.875 0.369 . . . . 63.399999999999999 110.951 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -76.52 -43.36 39.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 70.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -57.22 13.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 55.399999999999999 110.887 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.787 HD22 HG22 ' A' ' 61' ' ' VAL . 3.8 pp -60.06 -37.26 79.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 73.5 110.901 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 11.1 t -64.73 -37.68 88.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 65.299999999999997 110.895 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.57 -43.46 97.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 72.299999999999997 110.859 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -63.16 -35.13 79.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 71.299999999999997 110.898 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.453 HD13 ' CD1' ' A' ' 40' ' ' LEU . 8.8 tt -63.0 -46.31 88.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 71.099999999999994 110.9 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.02 -48.77 80.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 34.5 111.12 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.32 -31.3 70.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 62.200000000000003 111.095 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 6.8 tp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 70.299999999999997 110.917 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.875 0.369 . . . . 62.399999999999999 110.962 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.32 -47.11 80.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 70.099999999999994 110.911 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -60.78 -47.61 85.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.272 -0.422 . . . . 73.400000000000006 110.951 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -62.52 -31.84 72.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 74.099999999999994 111.1 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.772 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -65.66 -51.58 58.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 65.299999999999997 111.117 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 mt -62.59 -39.02 83.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.46 . . . . 61.399999999999999 111.072 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -59.73 -44.43 93.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 61.100000000000001 110.862 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.0 mt -66.49 -39.81 88.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 74.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 9' ' ' ALA . 32.6 t -65.94 -38.7 82.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 71.400000000000006 111.084 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.0 m -57.08 -52.96 63.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 72.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.3 mttp -62.6 -27.15 69.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 64.400000000000006 110.974 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.448 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -76.15 -37.87 57.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.405 . . . . 64.099999999999994 111.071 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.416 HG22 ' NZ ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -60.26 -42.8 96.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 52.399999999999999 110.695 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -67.69 -41.17 84.05 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 116.439 -0.346 . . . . 60.200000000000003 110.598 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.446 ' HB3' ' HB2' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -59.04 -53.94 52.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.571 -0.286 . . . . 60.299999999999997 110.909 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -58.06 -29.68 65.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.493 -0.321 . . . . 54.5 111.012 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.416 ' NZ ' HG22 ' A' ' 17' ' ' THR . 16.8 mttt -83.76 -25.4 30.54 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.446 -0.343 . . . . 44.299999999999997 111.024 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.72 28.77 3.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.331 -0.395 . . . . 71.400000000000006 111.308 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.0 mttm 58.91 38.01 24.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.331 -0.395 . . . . 71.400000000000006 111.034 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -121.24 77.73 1.35 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 60.200000000000003 110.877 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.432 ' HA ' HD23 ' A' ' 70' ' ' LEU . 32.7 m-85 -74.38 -31.99 62.58 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.19 -0.459 . . . . 72.299999999999997 110.931 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -62.54 -60.0 4.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.358 . . . . 65.400000000000006 110.893 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -64.58 -36.68 85.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 71.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.446 ' HB2' ' HB3' ' A' ' 19' ' ' GLU . . . -59.54 -48.8 80.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 74.299999999999997 111.142 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.661 ' O ' HD13 ' A' ' 29' ' ' LEU . 2.8 tm? -60.08 -40.98 91.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 64.200000000000003 110.872 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -60.03 -60.35 3.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 72.400000000000006 110.904 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.0 mt -61.16 -31.37 71.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 71.299999999999997 110.925 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.472 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.3 m-85 -66.71 -40.13 88.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 73.5 110.864 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -60.04 -54.53 44.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 73.200000000000003 110.936 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -60.37 -33.96 73.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 71.299999999999997 110.868 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.472 ' HB1' HG22 ' A' ' 13' ' ' VAL . . . -63.12 -55.77 22.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 65.0 111.103 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 32' ' ' TYR . 28.4 t -63.26 -36.68 77.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 74.299999999999997 111.04 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -60.03 -37.93 81.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 72.099999999999994 110.904 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -74.17 -33.76 63.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 72.299999999999997 110.84 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -62.19 -52.63 63.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 74.400000000000006 110.869 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.486 ' HA ' HD12 ' A' ' 43' ' ' ILE . 52.5 mt -59.67 -41.05 89.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.200000000000003 110.859 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.49 -31.47 70.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 61.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.57 -31.34 63.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 71.099999999999994 111.088 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.486 HD12 ' HA ' ' A' ' 40' ' ' LEU . 22.7 mt -75.54 -49.1 28.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 65.5 111.151 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -62.32 -31.59 72.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 52.5 110.887 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -81.45 -74.54 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 74.400000000000006 110.887 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -134.38 114.66 13.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.913 -0.585 . . . . 73.099999999999994 110.819 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.57 -175.41 2.79 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.124 0.488 . . . . 51.399999999999999 111.258 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -106.35 -65.94 1.04 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.858 0.361 . . . . 64.400000000000006 110.908 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 m -162.76 -177.61 5.64 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.062 -0.517 . . . . 63.5 111.117 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -61.96 -50.64 71.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.997 0.427 . . . . 71.0 110.908 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -60.29 -44.72 95.12 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.037 -0.529 . . . . 60.200000000000003 110.866 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.68 -45.42 78.9 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.057 -0.52 . . . . 72.400000000000006 111.234 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.604 ' HA ' HD12 ' A' ' 56' ' ' ILE . 3.2 mtmm -60.32 -33.52 72.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 65.099999999999994 110.866 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -70.65 -34.44 72.06 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.082 -0.508 . . . . 75.099999999999994 110.874 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.12 -45.25 85.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.036 0.446 . . . . 74.299999999999997 111.08 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.604 HD12 ' HA ' ' A' ' 53' ' ' LYS . 4.8 mt -63.21 -35.3 71.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 73.400000000000006 110.933 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -60.38 -51.5 69.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 73.200000000000003 110.866 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.498 ' HA ' HG12 ' A' ' 61' ' ' VAL . . . -59.76 -30.5 68.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 55.399999999999999 111.109 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt -75.28 -30.96 60.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 74.299999999999997 110.842 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 65.7 m -81.7 -44.87 16.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 70.299999999999997 110.941 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.498 HG12 ' HA ' ' A' ' 58' ' ' ALA . 12.2 p -58.63 -39.15 75.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 73.099999999999994 111.102 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.79 -41.4 65.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 73.299999999999997 110.899 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -69.4 -31.49 69.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 73.200000000000003 110.877 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.453 ' CD2' HD12 ' B' ' 122' ' ' LEU . 0.2 OUTLIER -64.47 -49.19 72.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 70.0 110.914 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -60.29 -37.6 80.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 51.100000000000001 110.874 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.678 ' O ' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -70.27 -31.68 69.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 71.5 110.841 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.54 ' HB1' HD21 ' A' ' 29' ' ' LEU . . . -63.48 -57.58 9.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 64.400000000000006 111.06 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -58.71 -31.18 68.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 75.099999999999994 110.974 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -66.1 -31.86 72.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 73.299999999999997 110.852 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.678 HD13 ' O ' ' A' ' 66' ' ' ARG . 9.0 mp -76.42 -49.43 16.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 62.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -31.45 70.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 74.299999999999997 110.924 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -78.22 -31.49 49.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 52.100000000000001 110.862 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -64.93 -40.09 94.5 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.233 -0.44 . . . . 72.299999999999997 110.898 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.6 mt -82.13 -34.56 29.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.05 0.452 . . . . 55.299999999999997 110.936 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.8 ttp85 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 115.986 -0.552 . . . . 74.099999999999994 110.89 -179.86 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . 0.549 ' HA ' HD21 ' B' ' 118' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.83 0.348 . . . . 71.5 110.999 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -64.49 -30.7 71.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 75.5 110.976 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -59.63 -60.46 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 52.399999999999999 110.959 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.588 HD23 ' H ' ' B' ' 118' ' ' LEU . 0.6 OUTLIER -73.6 -31.3 63.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 75.099999999999994 110.969 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 40.9 t -60.53 -37.57 81.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 63.200000000000003 110.912 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -74.24 -45.36 48.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 75.299999999999997 110.866 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -60.37 -31.89 70.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 75.299999999999997 110.875 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.453 HD12 ' CD2' ' A' ' 64' ' ' LEU . 4.9 tt -70.79 -43.6 68.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 72.400000000000006 110.924 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.97 -31.24 69.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 65.400000000000006 111.089 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -82.05 -31.29 30.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 74.400000000000006 111.067 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 8.8 tp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 71.400000000000006 110.901 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.791 0.329 . . . . 74.0 110.861 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 mp -60.85 -42.46 97.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 75.099999999999994 111.012 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -59.68 -34.53 72.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 73.099999999999994 110.699 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.563 ' O ' HD23 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -79.13 -37.84 37.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 55.200000000000003 111.06 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.521 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -60.7 -51.27 70.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.023 -0.535 . . . . 63.5 111.06 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.0 mt -68.22 -32.73 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 70.200000000000003 111.065 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -59.96 -39.52 85.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 65.099999999999994 110.845 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.683 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 4.3 mm? -69.47 -43.1 73.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 72.099999999999994 110.855 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 9' ' ' ALA . 23.9 t -59.96 -42.91 91.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 54.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.2 m -57.82 -48.59 79.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 75.299999999999997 110.899 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -63.72 -28.97 70.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 73.200000000000003 110.896 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.5 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -77.42 -34.92 54.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 74.099999999999994 110.977 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -45.36 93.74 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.19 -0.459 . . . . 74.5 110.66 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -70.34 -35.8 73.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.267 -0.424 . . . . 71.099999999999994 110.772 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.44 -49.58 58.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.077 -0.51 . . . . 63.299999999999997 110.822 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -59.46 -48.12 82.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.075 -0.511 . . . . 74.099999999999994 110.748 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.56 -23.75 67.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.469 -0.332 . . . . 63.0 111.117 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.62 28.61 3.31 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.254 -0.43 . . . . 72.5 111.267 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt 57.23 65.21 1.42 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.296 -0.411 . . . . 71.200000000000003 110.814 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -138.79 71.69 1.39 Allowed 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.127 -0.488 . . . . 74.5 110.867 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.456 ' CD1' HD22 ' A' ' 70' ' ' LEU . 12.9 m-85 -64.16 -30.51 71.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.354 -0.385 . . . . 54.299999999999997 110.908 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.476 ' N ' HD11 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -72.14 -60.25 2.33 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.382 -0.372 . . . . 72.400000000000006 110.793 -179.899 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -62.23 -44.21 97.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 73.400000000000006 110.918 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.14 -31.35 67.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 64.099999999999994 111.216 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.693 ' CD2' ' HB1' ' A' ' 67' ' ' ALA . 3.1 tm? -74.64 -46.64 36.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 73.400000000000006 110.917 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -59.54 -37.7 79.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 72.299999999999997 110.94 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.5 ' HB2' ' HB2' ' A' ' 16' ' ' ALA . 7.7 mt -74.65 -33.89 62.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 74.400000000000006 110.925 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.752 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.6 m-85 -59.88 -54.03 50.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 71.400000000000006 110.907 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.672 ' CD ' HD13 ' B' ' 125' ' ' LEU . 0.7 OUTLIER -59.71 -44.19 93.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 52.200000000000003 110.866 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -60.23 -37.78 81.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 73.099999999999994 110.88 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.683 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -71.71 -45.85 60.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 51.299999999999997 111.121 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 32' ' ' TYR . 29.5 t -62.46 -41.27 91.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 74.200000000000003 111.081 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -60.24 -41.55 93.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 74.200000000000003 110.92 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -69.08 -34.33 74.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 72.400000000000006 110.907 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.434 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 2.6 m-85 -66.54 -49.37 66.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 74.299999999999997 110.883 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.0 mt -60.04 -31.47 70.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 63.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -71.07 -31.3 67.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 74.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.54 -30.8 63.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 72.400000000000006 111.131 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.4 mt -76.11 -49.74 24.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 72.200000000000003 111.113 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -60.09 -41.94 93.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 70.099999999999994 110.883 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -71.83 -73.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 75.299999999999997 110.875 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -132.95 106.47 7.7 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.214 -0.448 . . . . 64.099999999999994 111.161 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.65 -178.95 4.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 75.099999999999994 111.085 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -101.59 -66.93 0.89 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.937 -0.574 . . . . 75.400000000000006 110.908 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 m -163.1 179.78 7.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 53.5 110.584 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.07 -50.06 75.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.972 0.415 . . . . 72.299999999999997 110.992 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.58 -43.39 97.38 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.94 -0.573 . . . . 63.5 111.035 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.613 ' O ' HD12 ' A' ' 56' ' ' ILE . . . -66.39 -38.81 88.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 74.400000000000006 110.981 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -60.17 -31.72 70.38 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.947 0.403 . . . . 73.299999999999997 111.02 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -75.79 -43.87 44.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.221 -0.445 . . . . 74.200000000000003 110.849 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.2 m -61.7 -51.55 67.92 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.168 -0.469 . . . . 50.100000000000001 110.777 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.613 HD12 ' O ' ' A' ' 52' ' ' ALA . 4.5 mt -61.64 -44.93 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.046 -0.525 . . . . 74.099999999999994 110.959 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.608 ' O ' HG23 ' A' ' 61' ' ' VAL . 52.9 ttp85 -62.22 -43.65 98.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.423 . . . . 75.0 110.866 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.89 -32.89 66.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.424 . . . . 61.0 110.98 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.401 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 4.3 tptt -73.84 -31.11 63.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 74.099999999999994 110.752 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.6 m -74.14 -34.84 64.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 72.400000000000006 110.832 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.6 t -66.61 -42.73 90.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 74.5 111.07 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.23 -35.49 80.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 74.099999999999994 110.846 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.403 ' OH ' HG11 ' A' ' 13' ' ' VAL . 9.2 m-85 -67.28 -32.4 73.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 73.200000000000003 110.86 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -38.48 78.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 74.400000000000006 110.888 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.19 -56.88 16.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 74.299999999999997 110.893 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -60.09 -46.33 89.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 72.099999999999994 110.849 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.693 ' HB1' ' CD2' ' A' ' 29' ' ' LEU . . . -58.15 -45.43 87.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 74.200000000000003 111.09 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -57.51 -31.75 66.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 74.099999999999994 110.756 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.8 tttp -84.0 -28.53 27.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 53.100000000000001 111.088 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.456 HD22 ' CD1' ' A' ' 25' ' ' TYR . 30.3 mt -66.68 -43.54 84.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.332 -0.394 . . . . 70.200000000000003 110.847 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -74.8 -42.5 57.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 75.200000000000003 110.86 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.0 -30.53 71.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 34.100000000000001 110.976 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -67.6 -53.39 28.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.02 -0.536 . . . . 64.299999999999997 110.869 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.476 HD11 ' N ' ' A' ' 26' ' ' GLU . 3.1 mt -59.58 -53.65 55.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 64.200000000000003 110.949 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 116.394 -0.366 . . . . 71.099999999999994 110.959 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . 0.636 ' HA ' HD21 ' B' ' 118' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.835 0.35 . . . . 71.200000000000003 110.946 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.32 -29.47 65.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 72.400000000000006 110.941 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -58.62 -60.48 3.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 72.299999999999997 111.0 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.636 HD21 ' HA ' ' B' ' 115' ' ' GLU . 1.0 OUTLIER -69.99 -29.84 67.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 62.100000000000001 111.006 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 2.8 m -66.62 -46.73 74.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 71.400000000000006 110.956 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -61.61 -44.04 97.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 73.299999999999997 110.884 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -62.69 -32.62 73.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 73.5 110.884 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.49 ' HA ' HD12 ' B' ' 125' ' ' LEU . 1.3 tt -60.73 -51.59 68.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 52.299999999999997 110.924 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.05 -35.18 74.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 65.5 111.118 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.99 -35.66 80.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 55.299999999999997 111.093 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.672 HD13 ' CD ' ' A' ' 33' ' ' GLN . 7.9 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 60.100000000000001 110.913 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.769 0.319 . . . . 63.399999999999999 110.892 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.33 -44.47 79.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 64.400000000000006 111.124 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -31.38 70.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.303 -0.408 . . . . 75.5 111.312 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -80.33 -31.74 38.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 73.5 110.81 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.88 -39.27 79.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 44.100000000000001 111.116 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.8 mt -77.65 -49.51 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 65.299999999999997 111.084 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -59.25 -31.26 68.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 75.400000000000006 110.932 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.7 mt -71.77 -52.78 15.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 74.5 110.902 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.78 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 11.6 p -64.08 -35.19 72.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 74.299999999999997 111.116 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 75.0 m -59.26 -49.26 78.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 70.200000000000003 110.886 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.648 ' HB3' HD13 ' A' ' 31' ' ' LEU . 41.0 mmtt -62.34 -31.82 72.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 71.299999999999997 110.836 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.59 -39.36 80.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 72.5 111.097 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.34 -45.57 92.98 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.143 -0.48 . . . . 62.100000000000001 110.77 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -61.61 -40.79 96.07 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.778 0.323 . . . . 63.399999999999999 110.863 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -59.17 -50.38 74.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.337 -0.392 . . . . 74.200000000000003 110.834 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.41 ' OD2' HD11 ' A' ' 70' ' ' LEU . 5.3 t0 -57.76 -30.04 65.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 75.400000000000006 111.027 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -80.03 -26.57 39.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 75.299999999999997 111.003 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.35 29.92 3.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.478 -0.328 . . . . 74.200000000000003 111.08 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt 58.25 37.2 26.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 72.299999999999997 111.214 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -120.76 78.75 1.41 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.239 -0.437 . . . . 71.400000000000006 110.979 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.583 ' O ' HD23 ' A' ' 70' ' ' LEU . 23.8 m-85 -74.59 -33.82 62.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 71.200000000000003 110.817 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.427 ' N ' HD11 ' A' ' 74' ' ' LEU . 4.8 tt0 -63.06 -49.12 75.79 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.814 0.34 . . . . 63.200000000000003 110.804 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -69.79 -42.42 73.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 52.399999999999999 110.911 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.502 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . . . -59.69 -45.48 91.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 53.200000000000003 111.129 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.575 HD23 ' O ' ' A' ' 29' ' ' LEU . 1.6 tt -60.37 -42.79 96.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 70.200000000000003 110.927 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -60.24 -57.87 10.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 74.400000000000006 110.928 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.648 HD13 ' HB3' ' A' ' 15' ' ' LYS . 18.8 mt -60.49 -31.63 70.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 65.400000000000006 110.915 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.414 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.3 m-85 -64.06 -42.57 96.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 74.099999999999994 110.896 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -60.12 -57.6 12.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 72.200000000000003 110.907 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -60.12 -33.38 72.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 75.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.423 ' HB1' ' HB ' ' A' ' 13' ' ' VAL . . . -60.73 -61.91 2.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 75.400000000000006 111.09 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.5 t -59.89 -33.82 53.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 74.5 111.113 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -60.33 -38.78 84.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 70.400000000000006 110.882 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -73.53 -32.04 64.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 73.5 110.913 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -64.57 -53.02 54.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 61.399999999999999 110.875 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.515 ' HA ' HD12 ' A' ' 43' ' ' ILE . 49.4 mt -60.0 -39.57 86.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 64.299999999999997 110.908 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -60.38 -31.58 70.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 75.400000000000006 110.895 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.03 -31.08 61.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 44.399999999999999 111.134 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' A' ' 40' ' ' LEU . 21.9 mt -75.82 -50.88 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 72.400000000000006 111.107 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -31.65 70.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 61.299999999999997 110.879 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -82.44 -74.37 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 72.400000000000006 110.926 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -134.72 111.28 9.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 70.400000000000006 110.939 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -107.52 153.17 23.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.16 0.505 . . . . 60.200000000000003 111.226 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.413 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 10.6 t60 -67.06 -65.82 0.63 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.321 -0.399 . . . . 62.399999999999999 111.034 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.7 m -163.84 -177.03 4.88 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.045 -0.525 . . . . 61.5 111.091 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -62.36 -49.67 74.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.927 0.394 . . . . 74.299999999999997 110.871 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.45 -49.75 76.33 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.119 -0.491 . . . . 70.400000000000006 111.038 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.413 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -60.14 -41.77 93.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 71.200000000000003 111.069 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -60.27 -31.39 70.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 75.200000000000003 110.832 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -68.12 -43.08 79.2 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.068 -0.514 . . . . 74.200000000000003 110.902 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.6 p -60.45 -39.71 88.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 74.299999999999997 111.012 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.1 mt -71.84 -39.3 67.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.958 -0.565 . . . . 70.400000000000006 111.105 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.815 ' O ' HG23 ' A' ' 61' ' ' VAL . 5.7 ttm180 -59.42 -56.29 23.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 73.299999999999997 110.864 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.97 -35.38 69.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 63.100000000000001 110.974 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.405 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 12.4 mmtp -74.53 -30.43 61.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 74.299999999999997 110.735 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 81.4 m -78.85 -40.3 32.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 54.200000000000003 110.849 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 57' ' ' ARG . 27.6 t -60.85 -40.79 86.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 75.400000000000006 111.037 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -72.31 -36.51 68.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 73.400000000000006 110.85 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.78 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 2.5 m-85 -64.49 -33.61 76.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 75.099999999999994 110.87 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.676 HD21 ' HG ' ' B' ' 122' ' ' LEU . 2.9 mt -72.61 -38.26 67.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 62.100000000000001 110.86 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -60.6 -36.37 78.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 71.299999999999997 110.865 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.684 ' O ' HD13 ' A' ' 70' ' ' LEU . 15.0 mmm-85 -71.5 -39.39 70.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 75.299999999999997 110.917 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.67 -49.2 78.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 70.400000000000006 111.073 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -60.13 -38.65 83.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 73.400000000000006 110.874 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.32 -33.93 76.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 63.399999999999999 110.855 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.684 HD13 ' O ' ' A' ' 66' ' ' ARG . 9.2 mp -68.46 -34.81 76.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 72.299999999999997 110.843 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -49.25 75.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 73.400000000000006 110.896 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -64.29 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 60.299999999999997 110.927 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' A' ' 25' ' ' TYR . 11.4 t80 -60.54 -43.1 97.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.862 -0.608 . . . . 54.200000000000003 110.802 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.427 HD11 ' N ' ' A' ' 26' ' ' GLU . 4.6 mt -84.43 -32.34 24.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.244 0.545 . . . . 63.299999999999997 111.032 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.004 -0.544 . . . . 73.200000000000003 110.931 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . 0.648 ' HA ' HD21 ' B' ' 118' ' ' LEU . 2.9 tt0 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.856 0.36 . . . . 74.299999999999997 110.894 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -71.39 -29.4 64.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 74.200000000000003 110.981 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -58.68 -60.42 3.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 61.399999999999999 110.961 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.648 HD21 ' HA ' ' B' ' 115' ' ' GLU . 0.9 OUTLIER -68.84 -30.37 68.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 54.200000000000003 110.951 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 31.0 m -60.26 -46.26 90.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 65.400000000000006 110.923 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.43 -39.43 88.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 71.400000000000006 110.903 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 19.3 mtt180 -61.34 -31.61 71.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 73.400000000000006 110.91 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.676 ' HG ' HD21 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -68.47 -51.38 44.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 70.400000000000006 110.891 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.48 -43.2 99.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 50.5 111.087 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.25 -36.65 84.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 53.100000000000001 111.125 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 9.5 tt . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 72.400000000000006 110.894 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.4 m . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.812 0.339 . . . . 63.200000000000003 110.858 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.437 HD21 ' HB1' ' A' ' 42' ' ' ALA . 3.6 mm? -67.51 -50.24 59.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 62.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 33.3 tp60 -57.33 -37.41 72.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 75.400000000000006 111.142 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.766 ' O ' HD23 ' A' ' 12' ' ' LEU . 1.1 mmpt? -67.12 -31.37 71.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 70.0 111.104 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.696 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -69.55 -30.56 68.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.013 -0.54 . . . . 73.299999999999997 111.106 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.4 mm -70.41 -48.66 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 63.5 111.106 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -59.41 -34.1 72.05 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.176 -0.465 . . . . 64.099999999999994 111.442 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.766 HD23 ' O ' ' A' ' 8' ' ' LYS . 3.5 mm? -70.2 -54.95 10.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.041 -0.527 . . . . 72.099999999999994 110.848 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.4 p -60.5 -36.55 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 61.200000000000003 111.113 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.0 m -59.93 -50.93 71.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.400000000000006 110.847 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -60.16 -31.62 70.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 71.299999999999997 110.877 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.57 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -69.79 -38.93 76.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 54.399999999999999 111.092 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.814 HG22 ' HE3' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -60.45 -40.8 92.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 71.299999999999997 110.839 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -68.92 -44.65 72.67 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-O 121.122 0.487 . . . . 75.099999999999994 110.95 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.431 ' HB3' ' HB2' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -58.87 -53.46 58.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.557 . . . . 74.400000000000006 110.808 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -57.39 -30.17 64.68 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 116.018 -0.537 . . . . 74.099999999999994 111.225 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.814 ' HE3' HG22 ' A' ' 17' ' ' THR . 14.5 mttt -83.93 -25.19 30.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 73.400000000000006 110.984 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.98 29.06 3.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.709 0.29 . . . . 42.0 111.168 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt 58.86 36.79 24.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.31 -0.404 . . . . 54.5 110.909 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 -118.9 77.98 1.24 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.94 0.4 . . . . 53.0 110.766 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.488 ' CE2' ' CE1' ' A' ' 73' ' ' TYR . 17.2 m-85 -68.77 -42.33 77.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.506 . . . . 73.299999999999997 110.905 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.24 -59.85 4.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.329 -0.396 . . . . 74.200000000000003 110.867 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -61.03 -31.67 71.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 71.400000000000006 110.919 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.431 ' HB2' ' HB3' ' A' ' 19' ' ' GLU . . . -70.31 -30.69 67.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 72.099999999999994 111.119 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.542 HD13 ' C ' ' A' ' 29' ' ' LEU . 3.3 tm? -71.19 -47.63 56.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 74.5 110.927 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.4 ptm85 -58.98 -36.17 74.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 74.400000000000006 110.913 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.57 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 3.3 mm? -74.64 -46.6 37.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 75.299999999999997 110.875 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.404 ' CD2' ' HB1' ' A' ' 16' ' ' ALA . 2.5 m-85 -60.41 -39.46 87.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 71.099999999999994 110.901 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -60.19 -56.43 21.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 62.100000000000001 110.885 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.498 ' CD2' ' CE2' ' A' ' 38' ' ' TYR . 1.3 t-160 -61.11 -31.55 71.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 63.399999999999999 110.898 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.468 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -61.36 -61.82 2.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 64.099999999999994 111.151 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.429 HG11 ' CD1' ' B' ' 122' ' ' LEU . 21.5 t -59.71 -34.18 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 75.5 111.136 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -59.66 -39.57 84.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 74.099999999999994 110.903 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.498 ' CE2' ' CD2' ' A' ' 34' ' ' HIS . 7.9 m-85 -72.19 -34.6 68.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 74.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.696 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 35.9 m-85 -65.52 -48.69 71.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 73.099999999999994 110.907 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.527 HD11 HD13 ' B' ' 122' ' ' LEU . 77.2 mt -59.46 -38.65 81.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 73.299999999999997 110.938 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -64.39 -31.28 72.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 72.200000000000003 110.881 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.437 ' HB1' HD21 ' A' ' 6' ' ' LEU . . . -70.64 -33.88 71.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 50.299999999999997 111.064 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.0 mt -71.89 -52.4 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 53.299999999999997 111.122 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -60.13 -31.42 70.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 72.400000000000006 110.915 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -83.28 -73.1 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 71.299999999999997 110.919 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -141.71 115.23 8.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.001 -0.545 . . . . 63.200000000000003 110.659 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.41 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -98.03 166.08 11.6 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.12 -0.491 . . . . 61.299999999999997 110.969 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -84.97 -58.06 2.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.386 -0.37 . . . . 61.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.6 p -172.45 179.02 2.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.98 -0.554 . . . . 73.099999999999994 110.695 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.96 -47.35 86.82 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.927 -0.579 . . . . 50.100000000000001 110.854 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -46.43 90.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.354 -0.384 . . . . 51.200000000000003 110.841 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.74 -44.09 74.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 54.299999999999997 110.954 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.41 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 22.8 mtmt -60.12 -31.85 70.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 75.200000000000003 110.884 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -74.36 -32.51 62.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 71.099999999999994 110.893 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.89 -33.3 73.54 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.06 -0.518 . . . . 72.099999999999994 110.832 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.4 mt -75.44 -34.98 31.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.957 -0.565 . . . . 72.299999999999997 111.113 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.684 ' O ' HG23 ' A' ' 61' ' ' VAL . 1.6 mtm180 -59.84 -58.26 9.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 75.200000000000003 110.878 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.96 -41.09 82.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 54.5 111.046 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 8.4 mttp -67.19 -30.34 70.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 74.5 110.818 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 12.9 m -74.02 -40.98 62.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 72.400000000000006 110.862 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.5 t -59.66 -38.78 77.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 71.299999999999997 111.12 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -76.36 -30.77 57.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 61.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 59' ' ' LYS . 3.4 m-85 -69.16 -52.76 24.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 72.299999999999997 110.921 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.6 pp -60.65 -36.56 78.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 65.400000000000006 110.908 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.36 -41.61 94.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 45.200000000000003 110.795 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -70.61 -31.21 68.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 72.099999999999994 110.831 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.52 ' O ' HD23 ' A' ' 29' ' ' LEU . . . -63.93 -58.06 7.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 72.299999999999997 111.109 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.41 ' N ' HD11 ' B' ' 125' ' ' LEU . 0.4 OUTLIER -58.66 -30.93 67.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 74.0 110.88 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -69.55 -31.11 69.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 72.400000000000006 110.885 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.416 HD22 ' HB3' ' A' ' 25' ' ' TYR . 64.8 mt -77.88 -46.98 19.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 63.299999999999997 110.899 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.5 tptt -60.0 -31.36 69.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 74.200000000000003 110.897 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.61 -31.45 41.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 74.099999999999994 110.959 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.488 ' CE1' ' CE2' ' A' ' 25' ' ' TYR . 36.9 t80 -60.15 -43.83 95.45 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.191 -0.458 . . . . 75.400000000000006 110.884 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.8 mt -77.55 -32.59 53.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.327 0.584 . . . . 74.299999999999997 111.139 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 115.972 -0.558 . . . . 73.099999999999994 110.899 -179.829 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . 0.561 ' HA ' HD21 ' B' ' 118' ' ' LEU . 1.6 pm0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.794 0.331 . . . . 64.299999999999997 110.918 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -65.31 -30.66 71.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 71.099999999999994 110.928 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -60.5 3.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.419 . . . . 72.099999999999994 110.934 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.59 HD23 ' H ' ' B' ' 118' ' ' LEU . 0.7 OUTLIER -73.44 -31.45 63.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 73.400000000000006 110.918 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 41.5 t -60.6 -42.94 97.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 72.200000000000003 110.862 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -68.48 -46.18 70.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 63.5 110.926 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 59.5 mtp85 -60.48 -39.77 88.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 74.400000000000006 110.837 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.527 HD13 HD11 ' A' ' 40' ' ' LEU . 8.4 tt -62.07 -37.69 85.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 61.299999999999997 110.868 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.83 -48.3 82.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 71.299999999999997 111.075 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.87 -30.76 70.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 71.200000000000003 111.06 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.41 HD11 ' N ' ' A' ' 68' ' ' GLU . 6.0 tt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 73.299999999999997 110.923 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.834 0.349 . . . . 70.099999999999994 110.922 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.54 -44.76 81.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 74.299999999999997 110.848 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -60.66 -30.66 70.04 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.21 -0.45 . . . . 63.100000000000001 111.27 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.554 ' O ' HD12 ' A' ' 12' ' ' LEU . 21.0 mmtt -84.07 -32.36 24.84 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.084 -0.507 . . . . 74.0 110.876 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.496 ' HB1' ' CE1' ' A' ' 39' ' ' PHE . . . -63.48 -37.95 89.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 64.0 111.067 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.3 mt -78.69 -48.69 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 75.099999999999994 111.08 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.75 -30.94 67.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 41.299999999999997 111.074 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.782 HD22 ' HB2' ' A' ' 34' ' ' HIS . 16.6 mt -71.78 -53.76 12.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 55.299999999999997 110.899 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.404 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 11.8 p -63.14 -34.14 65.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 65.299999999999997 111.1 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 81.0 m -58.47 -53.31 59.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 64.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -60.41 -31.87 70.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 75.5 110.83 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.524 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -66.59 -41.1 89.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 51.100000000000001 111.008 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.28 -42.72 96.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 71.400000000000006 110.691 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -64.31 -36.31 83.69 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 116.203 -0.453 . . . . 73.099999999999994 110.719 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -71.67 -46.33 59.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.266 -0.424 . . . . 64.400000000000006 110.94 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -62.27 -32.33 73.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.018 -0.537 . . . . 71.400000000000006 110.981 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.1 pttt -88.02 -25.63 23.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 74.299999999999997 111.13 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.98 29.01 3.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.474 -0.33 . . . . 70.099999999999994 111.279 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.1 mttt 56.96 70.49 0.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.302 -0.408 . . . . 74.400000000000006 111.175 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -156.11 77.3 0.94 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.101 -0.499 . . . . 74.200000000000003 110.975 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.662 ' HA ' HD23 ' A' ' 70' ' ' LEU . 9.5 m-85 -76.83 -32.73 57.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 73.099999999999994 110.907 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.66 ' HB3' HD13 ' A' ' 74' ' ' LEU . 13.0 pt-20 -65.49 -47.89 74.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.898 -0.592 . . . . 53.100000000000001 110.992 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.91 -36.33 59.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 75.200000000000003 110.866 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.45 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . . . -58.93 -42.51 89.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 62.5 111.113 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.743 ' O ' HD13 ' A' ' 29' ' ' LEU . 2.6 tm? -60.14 -36.43 77.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 61.200000000000003 110.837 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -60.24 -47.11 87.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 73.200000000000003 110.819 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 12' ' ' LEU . 4.4 mm? -67.48 -40.35 85.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 70.400000000000006 110.927 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.784 ' O ' HG23 ' A' ' 36' ' ' VAL . 4.8 m-85 -59.93 -38.6 82.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 73.200000000000003 110.931 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -61.52 -58.66 7.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 74.400000000000006 110.886 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.782 ' HB2' HD22 ' A' ' 12' ' ' LEU . 2.6 m-70 -63.16 -37.62 87.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 62.100000000000001 110.864 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.476 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -59.96 -55.0 39.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 65.400000000000006 111.089 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 32' ' ' TYR . 27.9 t -63.24 -41.2 91.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 63.100000000000001 111.094 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -60.15 -44.37 95.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 75.400000000000006 110.942 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -65.93 -31.69 72.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 72.299999999999997 110.903 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.496 ' CE1' ' HB1' ' A' ' 9' ' ' ALA . 2.6 m-85 -66.9 -51.74 51.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 73.400000000000006 110.911 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.46 ' HA ' HD12 ' A' ' 43' ' ' ILE . 47.6 mt -59.82 -39.45 85.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 52.200000000000003 110.899 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -63.09 -31.44 72.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 74.5 110.914 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.58 -31.14 64.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 74.200000000000003 111.099 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 40' ' ' LEU . 22.4 mt -75.74 -51.8 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 74.200000000000003 111.101 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -31.62 70.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 62.200000000000003 110.877 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -79.54 -41.53 27.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 72.299999999999997 110.906 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -156.58 164.67 37.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 72.200000000000003 111.057 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.51 131.12 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.314 -0.403 . . . . 61.200000000000003 111.012 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -63.43 -58.31 7.45 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.411 -0.359 . . . . 74.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.7 m -156.55 -178.68 7.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 74.400000000000006 110.526 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.62 -35.23 77.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 71.200000000000003 110.799 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.58 -46.87 86.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.391 -0.368 . . . . 71.099999999999994 110.814 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.538 ' O ' HD12 ' A' ' 56' ' ' ILE . . . -65.13 -41.89 94.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.982 -0.554 . . . . 73.400000000000006 111.169 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -60.75 -33.56 73.11 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.277 -0.42 . . . . 51.399999999999999 110.838 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.49 -43.48 60.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.306 -0.406 . . . . 62.399999999999999 110.929 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 95.0 p -60.98 -48.27 82.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 73.200000000000003 110.941 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.538 HD12 ' O ' ' A' ' 52' ' ' ALA . 4.8 mt -63.14 -36.88 77.77 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.272 0 CA-C-N 116.394 -0.366 . . . . 72.400000000000006 110.864 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.752 ' O ' HG23 ' A' ' 61' ' ' VAL . 3.5 tmt_? -60.38 -52.65 64.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.349 -0.387 . . . . 74.0 110.864 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.04 -31.38 65.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 71.200000000000003 111.003 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.403 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 20.5 mttm -77.22 -31.13 54.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 72.5 110.766 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 71.6 m -78.09 -34.67 50.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.146 -0.479 . . . . 62.100000000000001 110.784 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 57' ' ' ARG . 29.8 t -68.02 -40.11 82.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 74.400000000000006 111.02 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -72.44 -32.09 66.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 74.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.404 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 3.0 m-85 -70.8 -34.5 71.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 70.099999999999994 110.859 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.607 HD12 ' HB2' ' B' ' 118' ' ' LEU . 11.6 mt -69.65 -39.22 77.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 72.299999999999997 110.855 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -60.2 -49.24 78.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 64.200000000000003 110.891 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.498 ' O ' HD13 ' A' ' 70' ' ' LEU . 19.5 ttt85 -62.04 -32.21 72.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 55.299999999999997 110.846 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.629 ' HB1' HD21 ' A' ' 29' ' ' LEU . . . -59.4 -55.53 33.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 73.400000000000006 111.065 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -58.57 -30.93 67.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 73.0 110.97 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -69.14 -30.95 69.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 73.200000000000003 110.915 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.662 HD23 ' HA ' ' A' ' 25' ' ' TYR . 7.7 mp -80.59 -50.24 10.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 73.5 110.923 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.04 -31.55 71.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 63.200000000000003 110.924 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.59 -30.94 41.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 74.099999999999994 110.956 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -60.19 -45.49 92.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.88 -0.6 . . . . 63.399999999999999 110.57 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.66 HD13 ' HB3' ' A' ' 26' ' ' GLU . 5.5 mt -83.79 -41.53 17.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.419 -0.355 . . . . 51.399999999999999 110.848 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.321 -0.639 0 CA-C-N 116.204 -0.453 . . . . 71.299999999999997 110.896 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . 0.629 ' HA ' HD21 ' B' ' 118' ' ' LEU . 1.3 mp0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.89 0.376 . . . . 71.099999999999994 110.921 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -73.15 -30.04 63.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 74.299999999999997 110.959 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -60.4 3.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 54.299999999999997 110.966 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.629 HD21 ' HA ' ' B' ' 115' ' ' GLU . 1.1 pt? -70.79 -29.44 65.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 63.100000000000001 110.919 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 35.0 t -65.81 -40.14 91.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.411 . . . . 43.200000000000003 110.931 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -66.83 -46.41 75.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 74.299999999999997 110.901 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -60.3 -32.05 70.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 73.200000000000003 110.896 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.601 ' HG ' HD21 ' A' ' 64' ' ' LEU . 1.8 tt -63.54 -51.79 63.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 71.5 110.874 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.9 -44.44 94.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 43.399999999999999 111.092 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.47 -31.94 72.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 63.200000000000003 111.118 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 5.1 tp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 74.0 110.918 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 38' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.837 0.351 . . . . 73.400000000000006 110.871 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.744 HD23 HD11 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -60.31 -48.34 82.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 63.100000000000001 110.848 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -58.23 -37.69 75.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 50.200000000000003 110.807 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.7 mmtt -75.24 -30.51 60.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 72.0 111.295 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.598 ' HB2' ' HB3' ' A' ' 38' ' ' TYR . . . -64.26 -53.4 49.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.018 -0.537 . . . . 52.5 111.043 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.744 HD11 HD23 ' A' ' 6' ' ' LEU . 4.7 mt -64.08 -34.18 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 72.0 111.082 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.87 -41.22 86.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 63.100000000000001 110.891 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.855 HD23 HD23 ' A' ' 31' ' ' LEU . 3.5 mt -67.34 -40.08 85.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 63.5 110.817 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.625 HG13 ' HE1' ' A' ' 32' ' ' TYR . 23.9 t -64.95 -38.09 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 73.400000000000006 111.065 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.06 -57.85 11.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 70.299999999999997 110.953 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -58.49 -26.12 63.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 72.299999999999997 111.076 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.594 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -76.95 -37.85 54.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 71.5 111.084 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -37.36 81.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 74.400000000000006 110.733 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -74.23 -36.87 63.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.701 -0.681 . . . . 65.099999999999994 110.884 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.41 -49.84 44.74 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.833 -0.621 . . . . 74.400000000000006 110.867 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -59.03 -33.16 70.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.096 -0.502 . . . . 61.5 110.826 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 pttp -88.15 -26.34 22.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.747 0.308 . . . . 71.200000000000003 111.045 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.34 29.7 3.12 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.209 -0.451 . . . . 71.400000000000006 111.209 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.3 mttp 57.77 70.26 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.254 0.55 . . . . 72.0 111.151 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 -154.89 62.33 0.65 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.182 -0.463 . . . . 72.099999999999994 110.658 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.43 ' CE2' ' CE2' ' A' ' 73' ' ' TYR . 23.5 m-85 -64.07 -32.26 73.75 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-O 120.874 0.369 . . . . 74.099999999999994 110.975 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.407 ' N ' HD11 ' A' ' 74' ' ' LEU . 8.9 tt0 -67.45 -39.98 85.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.964 -0.562 . . . . 72.400000000000006 110.782 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.433 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.7 OUTLIER -82.96 -31.98 27.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 43.200000000000003 110.886 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.77 -43.49 68.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 55.200000000000003 111.159 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.542 ' CD2' ' HB1' ' A' ' 67' ' ' ALA . 3.3 tm? -60.46 -48.51 81.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 73.400000000000006 110.914 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -59.39 -43.12 93.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 74.400000000000006 110.95 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.855 HD23 HD23 ' A' ' 12' ' ' LEU . 8.7 mt -72.1 -42.15 66.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 60.100000000000001 110.826 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.625 ' HE1' HG13 ' A' ' 13' ' ' VAL . 3.7 m-85 -63.16 -38.64 91.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 74.5 110.93 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -59.98 -57.57 12.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 44.399999999999999 110.908 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.443 ' C ' HD13 ' A' ' 12' ' ' LEU . 2.0 m-70 -60.22 -31.57 70.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 75.099999999999994 110.916 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.58 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -60.05 -51.67 68.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 75.0 111.144 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.819 HG11 HD21 ' A' ' 64' ' ' LEU . 21.4 t -59.58 -39.68 80.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 54.299999999999997 111.121 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -60.58 -31.94 71.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 63.200000000000003 110.908 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.598 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 8.3 m-85 -77.86 -32.13 51.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 75.299999999999997 110.863 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -67.65 -53.48 27.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.595 ' HA ' HD12 ' A' ' 43' ' ' ILE . 40.8 mt -59.41 -42.23 91.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 70.099999999999994 110.922 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.468 ' CE1' ' CZ ' ' A' ' 45' ' ' TYR . 1.2 t-80 -61.29 -31.44 71.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 65.099999999999994 110.922 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.94 -31.13 66.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 74.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.595 HD12 ' HA ' ' A' ' 40' ' ' LEU . 20.8 mt -73.84 -48.85 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 62.399999999999999 111.105 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.422 ' HD3' ' CD2' ' A' ' 41' ' ' HIS . 0.1 OUTLIER -64.48 -36.71 85.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 71.5 110.884 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.468 ' CZ ' ' CE1' ' A' ' 41' ' ' HIS . 2.3 m-85 -70.42 -72.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 74.200000000000003 110.871 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -131.3 109.01 10.06 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.209 -0.451 . . . . 71.099999999999994 110.938 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -107.57 166.3 10.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 72.0 111.132 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -101.81 -63.3 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 75.400000000000006 110.856 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.4 m -157.87 178.41 10.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 72.5 110.994 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -60.96 -37.27 81.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 72.099999999999994 110.841 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -54.96 31.97 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.153 -0.476 . . . . 51.100000000000001 110.864 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.94 95.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 71.5 111.194 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.5 mtmt -60.4 -31.63 70.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.082 -0.508 . . . . 53.200000000000003 110.68 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -76.42 -45.7 30.4 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.906 0.384 . . . . 65.099999999999994 110.936 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 76.2 p -60.36 -43.47 96.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.091 -0.504 . . . . 74.0 111.055 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.7 mt -67.53 -41.58 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 50.200000000000003 110.905 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.66 ' O ' HG23 ' A' ' 61' ' ' VAL . 7.9 tmm_? -66.85 -44.79 80.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 64.099999999999994 110.869 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.32 -35.73 67.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 62.200000000000003 111.02 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.62 -30.94 64.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 71.299999999999997 110.724 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.776 ' O ' HD23 ' A' ' 64' ' ' LEU . 66.9 m -73.85 -36.28 64.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 72.400000000000006 110.847 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.5 t -62.96 -49.98 81.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 54.5 111.067 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -62.82 -33.99 76.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 72.099999999999994 110.878 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -69.13 -34.61 75.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 74.299999999999997 110.856 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.819 HD21 HG11 ' A' ' 36' ' ' VAL . 3.7 mm? -63.59 -42.92 98.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 74.099999999999994 110.814 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.38 -48.78 80.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 73.299999999999997 110.907 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 -59.78 -44.03 94.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 71.200000000000003 110.883 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.542 ' HB1' ' CD2' ' A' ' 29' ' ' LEU . . . -57.67 -45.43 85.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 41.200000000000003 111.119 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.431 ' HA ' HD21 ' B' ' 125' ' ' LEU . 18.5 tt0 -57.6 -34.6 69.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 62.100000000000001 110.686 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.83 -29.76 40.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.104 -0.498 . . . . 65.0 111.06 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.5 ' HB2' HD23 ' A' ' 29' ' ' LEU . 30.7 mt -64.93 -52.77 54.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 72.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -66.57 -37.35 84.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 75.299999999999997 110.848 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -66.35 -31.06 71.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 73.200000000000003 110.84 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.43 ' CE2' ' CE2' ' A' ' 25' ' ' TYR . 79.9 t80 -66.21 -52.48 47.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.867 0.365 . . . . 73.400000000000006 110.906 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.407 HD11 ' N ' ' A' ' 26' ' ' GLU . 4.6 mt -68.15 -44.81 75.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 74.400000000000006 110.981 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.236 -0.438 . . . . 72.5 111.154 179.881 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . 0.614 ' HA ' HD21 ' B' ' 118' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.862 0.363 . . . . 74.5 110.914 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -69.58 -29.88 67.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 75.200000000000003 110.99 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -59.08 -60.42 3.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 74.099999999999994 111.008 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.614 HD21 ' HA ' ' B' ' 115' ' ' GLU . 1.0 OUTLIER -72.21 -29.59 64.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 73.400000000000006 110.939 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 38.9 t -60.7 -50.47 73.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 74.5 110.877 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -63.91 -41.33 97.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 73.099999999999994 110.885 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 -60.19 -40.92 91.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 75.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.45 ' O ' HD23 ' B' ' 122' ' ' LEU . 1.6 tt -62.16 -37.19 84.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 54.399999999999999 110.872 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.85 -46.18 90.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 72.400000000000006 111.103 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.37 -31.19 57.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 71.299999999999997 111.062 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.435 ' HA ' HD22 ' B' ' 125' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 73.299999999999997 110.89 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.755 0.312 . . . . 64.400000000000006 110.898 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.486 ' O ' HD12 ' A' ' 10' ' ' ILE . 3.4 mp -60.28 -43.81 95.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 42.200000000000003 110.833 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -60.02 -38.09 81.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 72.5 110.984 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.02 -36.27 48.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 71.400000000000006 111.025 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.416 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -60.44 -47.91 84.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.047 -0.524 . . . . 70.099999999999994 111.056 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.486 HD12 ' O ' ' A' ' 6' ' ' LEU . 4.5 mt -63.57 -53.55 43.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 63.100000000000001 111.04 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.65 -31.14 67.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.200000000000003 110.973 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.404 HD22 ' HB3' ' A' ' 34' ' ' HIS . 23.9 mt -72.09 -50.9 24.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 54.100000000000001 110.897 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.576 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 11.9 p -66.99 -34.72 71.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 64.400000000000006 111.119 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.0 m -58.52 -55.21 38.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 74.299999999999997 110.86 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -31.48 69.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 74.400000000000006 110.852 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.759 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -67.71 -34.06 76.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 71.0 110.985 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.17 -36.59 77.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 75.299999999999997 110.717 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -68.62 -44.42 74.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.393 -0.367 . . . . 72.5 110.738 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.03 -51.92 67.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 71.299999999999997 110.959 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.789 ' OD2' HD11 ' A' ' 70' ' ' LEU . 5.3 t70 -57.93 -30.36 65.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 62.399999999999999 111.105 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -83.5 -27.96 29.03 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-N 116.477 -0.329 . . . . 74.400000000000006 110.806 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.33 29.11 3.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.789 0.328 . . . . 71.200000000000003 111.289 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mttm 58.14 70.35 0.66 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.266 0.555 . . . . 71.299999999999997 111.168 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -152.56 74.27 1.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.04 -0.527 . . . . 72.200000000000003 110.818 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.738 ' CD1' HD22 ' A' ' 70' ' ' LEU . 11.4 m-85 -69.1 -31.7 70.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 74.299999999999997 110.769 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.503 ' HG3' HD13 ' A' ' 74' ' ' LEU . 3.8 tt0 -72.32 -38.17 68.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.861 0.362 . . . . 74.299999999999997 110.78 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -83.02 -30.33 28.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 62.0 110.957 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.403 ' O ' ' CD2' ' A' ' 32' ' ' TYR . . . -72.85 -43.71 62.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 72.099999999999994 111.159 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.595 HD11 ' HB2' ' A' ' 71' ' ' LYS . 1.6 tt -59.64 -54.18 49.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 72.099999999999994 110.897 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -36.55 73.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 71.299999999999997 111.016 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.759 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 1.9 mt -76.53 -31.53 57.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 74.200000000000003 110.884 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.439 ' CE2' ' HD3' ' A' ' 66' ' ' ARG . 8.6 m-85 -69.85 -48.41 58.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 75.200000000000003 110.969 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.456 ' OE1' HD23 ' B' ' 125' ' ' LEU . 34.6 mt-30 -59.54 -45.84 90.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 62.100000000000001 110.949 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.404 ' HB3' HD22 ' A' ' 12' ' ' LEU . 2.3 t-160 -60.49 -37.62 81.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 71.299999999999997 110.936 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.45 -57.36 7.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 35.399999999999999 111.072 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.5 t -59.63 -32.7 49.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 43.100000000000001 111.105 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -60.21 -45.41 93.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 64.299999999999997 110.907 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -68.86 -31.53 70.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 74.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.416 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 2.5 m-85 -68.1 -42.2 80.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 73.200000000000003 110.903 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.839 ' HA ' HD12 ' A' ' 43' ' ' ILE . 83.6 mt -60.17 -47.74 84.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 65.400000000000006 110.906 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -63.41 -31.31 72.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 55.299999999999997 110.876 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.37 -33.65 74.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 72.099999999999994 111.132 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.839 HD12 ' HA ' ' A' ' 40' ' ' LEU . 5.2 mt -72.22 -53.09 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 54.100000000000001 111.085 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -60.05 -31.36 69.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 65.299999999999997 110.929 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -79.32 -50.85 10.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 75.099999999999994 110.862 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -142.0 158.58 43.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 64.0 110.857 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.431 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -175.24 130.14 0.29 Allowed 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 116.077 -0.51 . . . . 54.299999999999997 111.012 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -60.34 -74.58 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.068 -0.514 . . . . 73.200000000000003 110.886 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.9 t -146.24 -171.81 3.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 72.099999999999994 110.752 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -64.71 -39.17 93.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 74.400000000000006 110.9 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -60.54 -52.36 65.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.294 -0.412 . . . . 75.299999999999997 110.998 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.98 -43.17 99.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 73.200000000000003 111.178 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.431 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 19.4 mtmm -60.09 -31.46 70.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.308 -0.405 . . . . 65.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.98 -43.34 65.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 74.0 110.936 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.5 p -60.32 -46.98 87.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 73.400000000000006 110.702 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 34.4 mt -69.78 -37.64 74.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 116.24 -0.436 . . . . 65.299999999999997 110.848 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.671 ' O ' HG23 ' A' ' 61' ' ' VAL . 10.4 ttp180 -69.16 -47.51 64.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 62.5 110.884 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.73 -36.32 67.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 75.200000000000003 111.013 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.403 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 44.2 mttt -72.2 -30.72 65.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.053 -0.521 . . . . 72.400000000000006 110.764 179.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 81.3 m -74.79 -37.85 62.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 64.299999999999997 110.841 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.685 HG22 HD22 ' B' ' 118' ' ' LEU . 21.6 t -61.96 -45.2 99.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 74.099999999999994 111.069 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -70.48 -35.8 73.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 62.100000000000001 110.85 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.576 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 3.0 m-85 -66.91 -34.55 78.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 74.299999999999997 110.827 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.478 HD21 ' HG ' ' B' ' 122' ' ' LEU . 0.2 OUTLIER -73.24 -31.34 64.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 74.400000000000006 110.903 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -62.91 -50.37 71.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 52.200000000000003 110.889 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.439 ' HD3' ' CE2' ' A' ' 32' ' ' TYR . 4.7 ptp85 -64.9 -34.02 77.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 63.399999999999999 110.896 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.18 -53.06 62.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 73.299999999999997 111.089 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -59.87 -31.21 69.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 73.400000000000006 110.892 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -68.78 -41.41 78.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 51.399999999999999 110.878 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.789 HD11 ' OD2' ' A' ' 20' ' ' ASP . 64.6 mt -64.21 -31.09 72.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 72.400000000000006 110.897 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.595 ' HB2' HD11 ' A' ' 29' ' ' LEU . 6.7 tttp -69.83 -39.98 76.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 75.0 110.82 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -66.3 -31.26 71.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 72.200000000000003 110.897 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -65.25 -56.15 14.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 72.5 110.879 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.503 HD13 ' HG3' ' A' ' 26' ' ' GLU . 6.0 mt -65.13 -31.52 72.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.308 -0.406 . . . . 73.400000000000006 111.037 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 116.116 -0.493 . . . . 75.299999999999997 111.144 -179.914 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . 0.646 ' HA ' HD21 ' B' ' 118' ' ' LEU . 4.1 tm-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.794 0.33 . . . . 74.0 110.89 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -72.83 -29.11 62.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 62.399999999999999 110.984 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -58.3 -60.41 3.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 74.099999999999994 110.977 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.685 HD22 HG22 ' A' ' 61' ' ' VAL . 1.0 OUTLIER -68.46 -29.93 68.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 35.100000000000001 110.922 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 22.7 t -62.41 -41.44 98.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 51.399999999999999 110.891 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -68.92 -43.11 75.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 73.099999999999994 110.934 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 24.9 mtt-85 -60.27 -32.39 71.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 74.400000000000006 110.908 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.545 HD13 HD11 ' A' ' 40' ' ' LEU . 1.4 tt -69.22 -42.85 75.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 71.099999999999994 110.869 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.83 -47.58 85.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 53.5 111.129 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.08 -35.91 80.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 73.5 111.091 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.456 HD23 ' OE1' ' A' ' 33' ' ' GLN . 24.6 tp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 72.299999999999997 110.916 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.828 0.347 . . . . 62.200000000000003 110.902 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.36 -43.33 96.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 75.099999999999994 110.886 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -60.38 -37.39 80.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 65.400000000000006 111.079 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -77.11 -31.67 55.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 74.099999999999994 111.141 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.743 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -63.75 -52.38 60.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 65.099999999999994 111.095 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.4 mt -63.74 -39.77 86.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 62.200000000000003 111.024 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.05 -37.98 81.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 52.100000000000001 111.197 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.738 HD22 ' HB3' ' A' ' 34' ' ' HIS . 9.3 mt -71.73 -37.83 70.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 64.200000000000003 110.932 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 9' ' ' ALA . 32.2 t -66.97 -41.95 88.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 71.5 111.056 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 m -58.3 -50.12 74.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 73.299999999999997 110.928 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.673 ' HB3' HD13 ' A' ' 31' ' ' LEU . 13.9 mmtt -60.39 -30.74 69.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 72.299999999999997 110.909 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.94 -34.39 57.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 70.200000000000003 111.044 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.44 -40.49 91.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 54.399999999999999 110.69 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -70.89 -44.6 65.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 75.099999999999994 110.802 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -58.72 -56.21 25.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 62.299999999999997 110.9 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -56.94 -30.24 63.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.967 -0.56 . . . . 74.099999999999994 110.881 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -85.25 -25.01 27.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.357 -0.383 . . . . 72.099999999999994 111.004 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.01 29.64 3.02 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.143 -0.481 . . . . 54.0 111.289 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt 58.99 41.53 20.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.409 . . . . 73.400000000000006 111.235 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -126.82 78.16 1.78 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.145 -0.479 . . . . 74.400000000000006 111.027 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.648 ' CD1' HD22 ' A' ' 70' ' ' LEU . 20.2 m-85 -73.85 -32.37 63.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.764 -0.653 . . . . 72.5 110.923 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.508 ' OE1' HD13 ' A' ' 74' ' ' LEU . 2.3 tp10 -60.14 -60.0 4.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.341 -0.39 . . . . 71.099999999999994 110.878 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -64.73 -35.78 82.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 73.099999999999994 110.943 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.477 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -59.43 -46.75 87.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 65.400000000000006 111.1 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.846 HD11 ' NE2' ' A' ' 33' ' ' GLN . 3.2 tm? -61.15 -39.51 90.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 65.099999999999994 110.901 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -60.33 -51.45 69.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 71.200000000000003 110.915 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.673 HD13 ' HB3' ' A' ' 15' ' ' LYS . 8.0 mt -73.83 -31.46 63.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 75.200000000000003 110.889 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.477 ' CE2' ' HB1' ' A' ' 28' ' ' ALA . 2.1 m-85 -62.36 -50.83 70.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 74.200000000000003 110.919 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.846 ' NE2' HD11 ' A' ' 29' ' ' LEU . 36.5 mt-30 -60.01 -50.13 74.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 52.399999999999999 110.921 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.738 ' HB3' HD22 ' A' ' 12' ' ' LEU . 1.5 t-160 -60.3 -32.97 71.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 63.399999999999999 110.928 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.471 ' HB1' HG22 ' A' ' 13' ' ' VAL . . . -65.77 -58.18 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 63.200000000000003 111.13 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.66 -34.13 54.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 61.200000000000003 111.133 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.53 -49.62 76.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 72.200000000000003 110.897 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -61.81 -34.79 76.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 75.200000000000003 110.937 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -62.23 -51.29 68.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 72.200000000000003 110.907 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.581 ' HA ' HD12 ' A' ' 43' ' ' ILE . 61.9 mt -59.9 -40.32 88.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 74.400000000000006 110.925 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -60.7 -31.51 70.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 70.200000000000003 110.936 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.1 -31.05 62.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 60.299999999999997 111.113 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 40' ' ' LEU . 21.8 mt -74.61 -50.94 24.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 64.200000000000003 111.108 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.1 -31.38 69.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 63.399999999999999 110.943 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -80.85 -66.35 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 75.299999999999997 110.899 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -139.68 116.08 10.6 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.151 -0.477 . . . . 71.099999999999994 110.862 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -104.58 177.13 4.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 75.200000000000003 111.217 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -105.17 -53.63 2.63 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.87 0.367 . . . . 63.100000000000001 110.957 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 m -175.55 -176.62 0.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 33.100000000000001 110.874 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.06 -46.09 90.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.973 -0.558 . . . . 73.400000000000006 110.874 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.7 tttt -60.8 -39.97 90.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.287 -0.415 . . . . 62.100000000000001 110.791 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.5 -42.99 70.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 42.100000000000001 111.207 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.6 mtmm -60.21 -31.71 70.42 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.075 -0.511 . . . . 73.400000000000006 110.948 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -73.74 -43.15 59.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 65.200000000000003 110.855 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.29 -43.53 81.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.271 -0.422 . . . . 64.299999999999997 110.946 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.4 mt -69.5 -45.09 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 74.299999999999997 110.977 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.655 ' O ' HG23 ' A' ' 61' ' ' VAL . 43.1 ttp85 -66.82 -45.53 77.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 75.200000000000003 110.857 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.8 -33.64 66.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 52.5 111.024 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -74.2 -30.61 62.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 62.399999999999999 110.797 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 64.2 m -74.92 -34.02 62.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 73.099999999999994 110.855 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.971 HG22 HD22 ' B' ' 118' ' ' LEU . 21.6 t -65.72 -50.21 72.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 63.100000000000001 111.075 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -64.38 -31.49 72.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 70.299999999999997 110.925 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -71.07 -37.4 72.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 74.099999999999994 110.866 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.74 -46.46 90.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 75.200000000000003 110.912 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -60.72 -42.27 96.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 63.399999999999999 110.917 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.3 mtp180 -67.82 -43.51 79.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 61.299999999999997 110.857 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.6 ' O ' HD23 ' A' ' 29' ' ' LEU . . . -58.8 -49.87 76.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 53.200000000000003 111.16 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -59.78 -31.07 69.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 71.5 110.887 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -33.63 73.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 74.299999999999997 110.917 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.648 HD22 ' CD1' ' A' ' 25' ' ' TYR . 74.5 mt -68.22 -54.01 20.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 54.399999999999999 110.884 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -60.35 -35.16 75.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 74.299999999999997 110.926 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -67.06 -31.61 72.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 74.400000000000006 110.89 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -71.94 -37.14 70.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 75.299999999999997 110.721 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.508 HD13 ' OE1' ' A' ' 26' ' ' GLU . 8.9 mt -85.13 -31.9 23.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.902 0.382 . . . . 71.099999999999994 110.781 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.1 ttm-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 74.400000000000006 110.872 179.993 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . 0.602 ' HA ' HD21 ' B' ' 118' ' ' LEU . 3.2 tt0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.82 0.343 . . . . 71.299999999999997 110.904 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.61 -30.25 68.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 64.099999999999994 110.966 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -59.04 -60.45 3.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.426 . . . . 73.099999999999994 110.953 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.971 HD22 HG22 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -72.19 -30.35 64.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 61.0 110.931 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 39.9 t -60.23 -49.4 77.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 70.099999999999994 110.862 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -46.26 87.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.400000000000006 110.896 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -63.15 -31.38 72.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 64.200000000000003 110.899 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.17 -53.97 51.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 73.5 110.92 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.04 -31.32 69.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 70.200000000000003 111.101 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.99 -39.81 29.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 63.0 111.093 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.492 HD23 ' HG2' ' A' ' 33' ' ' GLN . 6.2 tp . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 73.299999999999997 110.952 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.835 0.35 . . . . 74.200000000000003 110.876 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.89 -56.9 15.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 73.099999999999994 111.162 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -61.6 -45.8 92.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.415 . . . . 74.299999999999997 110.985 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -65.76 -32.11 73.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 74.400000000000006 110.69 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 5' ' ' THR . . . -64.83 -57.13 9.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 73.099999999999994 111.11 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.0 mt -61.62 -33.61 58.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 74.299999999999997 111.029 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -60.28 -39.29 86.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 71.099999999999994 110.904 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.602 HD23 HD23 ' A' ' 31' ' ' LEU . 6.0 mt -68.89 -37.42 78.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 71.400000000000006 110.924 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.529 HG11 ' CZ ' ' A' ' 63' ' ' TYR . 22.0 t -64.02 -50.1 78.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 75.299999999999997 111.118 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -57.77 -34.88 70.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 73.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -73.85 -27.38 61.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 73.099999999999994 111.043 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.74 -40.76 24.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.332 -0.395 . . . . 63.0 111.045 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -44.98 94.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 70.099999999999994 110.705 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -69.24 -39.22 78.63 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.192 -0.458 . . . . 63.200000000000003 110.891 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -60.65 -55.86 28.19 Favored 'General case' 0 CA--C 1.524 -0.042 0 CA-C-N 115.973 -0.558 . . . . 61.200000000000003 111.051 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.635 ' OD2' HD11 ' A' ' 70' ' ' LEU . 7.3 t0 -57.29 -30.21 64.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.497 -0.32 . . . . 74.400000000000006 110.935 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -83.96 -27.48 28.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.979 -0.555 . . . . 64.299999999999997 111.073 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.29 32.97 2.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.139 -0.482 . . . . 64.0 111.32 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp 58.97 71.34 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 73.099999999999994 110.959 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -160.57 78.19 0.62 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.22 -0.445 . . . . 73.299999999999997 110.996 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' A' ' 73' ' ' TYR . 51.4 m-85 -75.1 -31.35 61.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.863 -0.608 . . . . 75.200000000000003 110.861 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.687 ' HG2' HD13 ' A' ' 74' ' ' LEU . 2.9 mt-10 -66.48 -48.33 70.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 75.200000000000003 110.866 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -71.54 -43.46 66.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 64.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.75 -44.22 93.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 72.200000000000003 111.133 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.536 HD23 ' O ' ' A' ' 29' ' ' LEU . 5.7 tt -60.26 -48.99 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 74.200000000000003 110.897 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -61.89 -50.57 71.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 65.5 110.906 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.602 HD23 HD23 ' A' ' 12' ' ' LEU . 16.2 mt -60.16 -31.5 70.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 71.200000000000003 110.903 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.805 ' O ' HG23 ' A' ' 36' ' ' VAL . 3.4 m-85 -68.85 -31.55 70.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 74.400000000000006 110.905 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -74.35 -49.31 23.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 73.099999999999994 110.924 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.404 ' HB2' HD22 ' A' ' 12' ' ' LEU . 4.8 m-70 -60.5 -42.1 95.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 61.200000000000003 110.895 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.486 ' HB2' ' CB ' ' A' ' 12' ' ' LEU . . . -60.0 -51.87 67.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 53.399999999999999 111.09 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 32' ' ' TYR . 27.8 t -63.23 -38.95 83.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 73.099999999999994 111.054 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -60.63 -37.47 81.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 72.200000000000003 110.899 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -73.42 -31.9 64.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 73.299999999999997 110.874 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -70.41 -46.77 63.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 74.400000000000006 110.922 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.2 mt -60.28 -38.38 83.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 73.299999999999997 110.875 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.484 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 2.8 t-80 -73.16 -31.41 64.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 74.099999999999994 110.906 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.94 -43.99 64.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 74.099999999999994 111.1 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.812 HD11 ' CG2' ' A' ' 56' ' ' ILE . 23.5 mt -77.25 -31.16 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 73.5 111.154 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -67.59 -41.93 83.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 72.099999999999994 110.853 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.484 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 6.0 m-85 -79.21 -37.2 38.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 71.200000000000003 110.938 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -150.71 128.26 11.48 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.188 -0.46 . . . . 64.299999999999997 111.032 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -129.06 143.1 50.75 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.271 -0.422 . . . . 70.099999999999994 111.134 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -68.21 -67.63 0.45 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.369 -0.378 . . . . 62.299999999999997 110.718 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.86 -177.76 6.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 64.299999999999997 110.697 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.8 -46.69 89.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 64.299999999999997 110.672 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 tttp -60.34 -52.58 64.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 62.200000000000003 110.92 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.443 ' O ' HD12 ' A' ' 56' ' ' ILE . . . -60.16 -43.4 95.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 54.100000000000001 110.868 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -59.95 -49.7 76.66 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.168 -0.469 . . . . 75.400000000000006 110.732 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.04 -29.47 67.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.874 0.369 . . . . 72.299999999999997 111.03 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 t -81.1 -49.28 11.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 44.5 110.775 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.812 ' CG2' HD11 ' A' ' 43' ' ' ILE . 5.5 mt -60.69 -38.11 77.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.376 -0.375 . . . . 62.5 110.833 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.9 ' O ' HG23 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -71.82 -37.35 70.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 72.5 110.838 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.417 ' N ' ' HG3' ' A' ' 57' ' ' ARG . . . -57.1 -41.05 78.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.958 0.409 . . . . 74.0 110.757 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.405 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 5.7 tttt -70.82 -34.55 71.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.973 -0.558 . . . . 51.100000000000001 110.494 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 76.9 m -69.82 -37.29 76.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 72.299999999999997 110.718 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.912 HG22 HD22 ' B' ' 118' ' ' LEU . 22.0 t -61.43 -45.81 97.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 63.0 110.979 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.59 -35.7 80.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 71.099999999999994 110.843 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.529 ' CZ ' HG11 ' A' ' 13' ' ' VAL . 18.9 m-85 -68.2 -33.07 73.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 74.200000000000003 110.88 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.776 HD13 ' O ' ' A' ' 64' ' ' LEU . 1.9 tm? -67.66 -34.79 77.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 64.400000000000006 110.861 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.61 -41.76 83.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 73.200000000000003 110.842 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.749 ' O ' HD13 ' A' ' 70' ' ' LEU . 4.9 ttt180 -60.09 -43.07 95.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 72.299999999999997 110.849 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.432 ' HB1' HD21 ' B' ' 125' ' ' LEU . . . -59.81 -50.63 73.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 73.299999999999997 111.036 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -58.69 -52.11 67.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 75.5 110.792 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.3 tttp -61.67 -30.96 71.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 74.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.749 HD13 ' O ' ' A' ' 66' ' ' ARG . 5.6 mp -71.16 -34.66 71.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 74.400000000000006 110.843 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.422 ' N ' HD12 ' A' ' 29' ' ' LEU . 1.2 ttpp -63.0 -46.21 88.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 73.200000000000003 110.872 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.58 -30.83 71.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 64.099999999999994 110.976 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' A' ' 25' ' ' TYR . 29.5 t80 -60.18 -45.4 93.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 74.299999999999997 110.849 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.687 HD13 ' HG2' ' A' ' 26' ' ' GLU . 5.1 mt -84.49 -31.4 24.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.214 -0.448 . . . . 74.400000000000006 110.926 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.082 -0.508 . . . . 74.400000000000006 111.018 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.825 0.345 . . . . 72.299999999999997 110.933 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -80.37 -25.45 39.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 72.299999999999997 111.096 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -57.26 -60.4 3.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.347 -0.388 . . . . 62.200000000000003 111.091 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.912 HD22 HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -72.47 -31.03 65.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 61.200000000000003 110.901 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 38.6 t -60.45 -48.31 82.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 70.400000000000006 110.885 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -63.6 -45.69 89.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 64.099999999999994 110.908 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 43.5 mtt-85 -63.84 -31.45 72.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 75.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.621 ' CD2' HD23 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -60.02 -54.0 51.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 74.5 110.953 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.42 -37.3 80.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 54.100000000000001 111.051 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.62 -34.39 74.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 64.299999999999997 111.132 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.432 HD21 ' HB1' ' A' ' 67' ' ' ALA . 1.6 tp . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 64.400000000000006 110.85 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.83 0.347 . . . . 71.200000000000003 110.917 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.32 -48.57 27.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 70.400000000000006 110.878 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -60.42 -45.61 92.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 71.5 110.97 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -64.41 -31.56 72.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 73.400000000000006 110.889 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.648 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -61.59 -56.79 16.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 75.400000000000006 111.112 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.1 mt -62.72 -38.57 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 71.099999999999994 111.024 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.81 -46.09 90.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 74.200000000000003 111.168 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.756 ' CB ' ' HB2' ' A' ' 35' ' ' ALA . 25.1 mt -61.9 -40.45 95.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 71.400000000000006 110.854 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 9' ' ' ALA . 35.2 t -65.01 -44.01 96.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 71.400000000000006 111.026 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.5 m -54.93 -37.85 66.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 73.200000000000003 111.052 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.501 ' HB2' HD22 ' A' ' 31' ' ' LEU . 2.3 mmtp -72.49 -30.18 64.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 75.200000000000003 110.878 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.414 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -75.89 -42.82 48.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 54.399999999999999 111.015 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -38.23 83.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 52.299999999999997 110.599 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -72.66 -32.61 65.97 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.539 -0.3 . . . . 74.200000000000003 110.728 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -76.92 -48.56 17.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.643 0.258 . . . . 62.5 110.841 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.777 ' OD2' HD11 ' A' ' 70' ' ' LEU . 4.3 t0 -58.65 -30.43 67.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.561 -0.291 . . . . 74.400000000000006 110.988 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.1 -22.68 24.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 75.099999999999994 111.052 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.57 29.77 2.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.786 0.327 . . . . 52.299999999999997 111.319 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt 59.33 41.96 18.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 73.299999999999997 111.06 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -128.11 76.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.236 -0.438 . . . . 75.200000000000003 110.777 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.619 ' CD1' HD22 ' A' ' 70' ' ' LEU . 17.2 m-85 -73.12 -34.15 65.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 74.400000000000006 110.961 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -67.8 -38.24 83.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 72.5 110.863 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.588 ' O ' HD12 ' A' ' 31' ' ' LEU . 2.0 tp10 -82.96 -32.15 27.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 74.400000000000006 110.941 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.408 ' HB2' ' N ' ' A' ' 20' ' ' ASP . . . -74.32 -34.31 63.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 62.5 111.117 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.704 ' CD2' ' HB1' ' A' ' 67' ' ' ALA . 3.4 tm? -65.93 -55.56 16.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 61.299999999999997 110.962 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.3 ppt_? -59.37 -33.21 70.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 73.0 110.963 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.588 HD12 ' O ' ' A' ' 27' ' ' GLU . 33.0 mt -75.74 -31.39 59.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 62.299999999999997 110.965 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.864 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.2 m-85 -73.89 -48.56 30.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 71.299999999999997 110.93 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -59.56 -37.8 79.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 64.5 110.963 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.571 ' HB3' HD22 ' A' ' 12' ' ' LEU . 3.1 t60 -64.2 -43.3 95.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 74.200000000000003 110.926 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.756 ' HB2' ' CB ' ' A' ' 12' ' ' LEU . . . -71.51 -45.11 63.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 52.299999999999997 111.134 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 32' ' ' TYR . 31.2 t -61.12 -37.72 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 62.200000000000003 111.106 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -40.12 94.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 71.200000000000003 110.894 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -71.05 -33.56 70.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 62.100000000000001 110.885 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.529 ' CZ ' ' HB1' ' A' ' 9' ' ' ALA . 2.6 m-85 -60.43 -54.11 49.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 63.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.666 ' HA ' HD12 ' A' ' 43' ' ' ILE . 44.9 mt -60.13 -35.79 76.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 74.400000000000006 110.882 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -61.09 -31.38 71.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 72.5 110.941 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.8 -29.98 45.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 74.400000000000006 111.132 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.707 HD11 HG22 ' A' ' 56' ' ' ILE . 21.6 mt -74.11 -32.01 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 61.299999999999997 111.08 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -32.12 40.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 72.200000000000003 110.958 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -80.44 -75.01 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.299999999999997 110.892 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -130.78 123.17 28.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 74.400000000000006 110.799 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.543 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -119.81 173.86 6.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.077 -0.511 . . . . 74.099999999999994 111.323 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -90.93 -48.79 6.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.988 -0.551 . . . . 75.400000000000006 110.914 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.28 179.6 1.21 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.317 -0.402 . . . . 50.200000000000003 111.231 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.5 -51.41 69.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.953 0.406 . . . . 75.099999999999994 110.865 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.6 tttm -59.99 -52.31 65.94 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.066 -0.516 . . . . 74.200000000000003 110.699 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.83 -44.12 94.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 44.200000000000003 111.036 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.543 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 2.1 mtmp? -59.73 -42.57 93.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.01 -0.541 . . . . 63.100000000000001 110.868 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.68 -31.59 70.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.382 -0.372 . . . . 64.5 110.882 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.5 t -69.7 -35.69 75.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.198 -0.456 . . . . 64.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.707 HG22 HD11 ' A' ' 43' ' ' ILE . 29.9 mt -73.07 -30.92 33.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 71.400000000000006 111.058 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.777 ' O ' HG23 ' A' ' 61' ' ' VAL . 3.5 mpp_? -72.32 -50.08 29.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 71.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.04 -45.34 75.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 71.299999999999997 111.137 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.574 ' HE2' HG23 ' A' ' 56' ' ' ILE . 14.5 pttt -64.93 -32.49 74.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 62.200000000000003 110.758 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 52.9 m -73.4 -43.46 60.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 71.299999999999997 110.913 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.949 HG22 HD22 ' B' ' 118' ' ' LEU . 21.4 t -58.63 -37.87 67.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 62.299999999999997 111.12 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -70.78 -36.26 72.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 71.299999999999997 110.895 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -67.16 -32.04 72.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 72.299999999999997 110.923 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.504 HD21 ' HB3' ' B' ' 121' ' ' ARG . 0.6 OUTLIER -72.81 -35.74 67.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 74.200000000000003 110.875 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.41 -54.37 46.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 54.100000000000001 110.849 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -43.65 95.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 72.5 110.856 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.704 ' HB1' ' CD2' ' A' ' 29' ' ' LEU . . . -58.19 -45.67 87.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 61.100000000000001 111.072 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -56.89 -35.39 68.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 73.099999999999994 110.746 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -78.59 -28.92 45.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.037 -0.528 . . . . 65.299999999999997 111.032 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.777 HD11 ' OD2' ' A' ' 20' ' ' ASP . 31.8 mt -66.01 -49.04 69.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.352 -0.386 . . . . 74.200000000000003 110.82 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -65.31 -43.22 91.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 73.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.48 -31.2 71.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 75.099999999999994 110.892 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -64.71 -53.31 49.32 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 121.109 0.48 . . . . 74.099999999999994 111.242 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.0 mt -66.76 -31.53 72.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.963 -0.562 . . . . 75.200000000000003 110.942 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 . . . . . 0 C--N 1.322 -0.589 0 CA-C-O 121.034 0.445 . . . . 45.399999999999999 111.1 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . 0.477 ' HA ' HD21 ' B' ' 118' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.786 0.327 . . . . 73.200000000000003 110.882 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -74.7 -41.08 60.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 62.5 110.912 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -57.01 10.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 63.399999999999999 110.907 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.949 HD22 HG22 ' A' ' 61' ' ' VAL . 3.8 pp -60.16 -36.89 78.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 70.099999999999994 110.903 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 6.0 m -63.21 -40.0 96.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 73.200000000000003 110.911 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 55.1 ttt-85 -60.47 -41.64 94.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 61.299999999999997 110.907 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . 0.504 ' HB3' HD21 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -60.39 -40.38 90.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 64.299999999999997 110.906 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.509 ' CD1' HG12 ' A' ' 36' ' ' VAL . 1.6 tt -60.32 -44.44 95.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 75.099999999999994 110.914 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.99 93.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 54.5 111.114 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.34 -31.11 70.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 61.399999999999999 111.131 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' B' ' 125' ' ' LEU . 8.2 tp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 74.5 110.892 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.8 m . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.865 0.364 . . . . 64.200000000000003 110.838 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.436 ' O ' HD12 ' A' ' 10' ' ' ILE . 4.5 mm? -63.9 -46.1 86.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 75.400000000000006 110.923 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -48.32 82.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 33.299999999999997 110.946 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -64.77 -31.65 72.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 72.200000000000003 110.721 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.1 -56.45 12.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 74.299999999999997 111.161 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.436 HD12 ' O ' ' A' ' 6' ' ' LEU . 3.8 mt -59.23 -35.31 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 65.099999999999994 111.058 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -59.35 -42.39 91.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 75.099999999999994 110.864 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.723 HD22 ' CB ' ' A' ' 34' ' ' HIS . 5.2 mt -64.63 -36.42 84.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.502 . . . . 63.299999999999997 110.872 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.463 HG11 ' CZ ' ' A' ' 63' ' ' TYR . 25.8 t -66.09 -48.82 80.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 51.200000000000003 111.06 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.78 -26.8 66.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 75.200000000000003 111.004 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.711 ' CB ' HD22 ' A' ' 31' ' ' LEU . 9.8 mmmt -76.15 -32.46 59.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 74.099999999999994 110.838 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.573 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -76.27 -44.44 37.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 44.100000000000001 111.14 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 18' ' ' GLU . 10.9 t -60.08 -46.62 88.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 73.5 110.935 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.437 ' N ' HG23 ' A' ' 17' ' ' THR . 12.5 pt-20 -59.75 -45.35 92.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 75.0 110.707 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.86 -30.28 70.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 73.299999999999997 110.67 179.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.84 -34.56 77.58 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.865 -0.607 . . . . 74.299999999999997 110.932 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.04 -24.19 23.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 70.400000000000006 111.244 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.65 25.34 4.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.156 -0.475 . . . . 65.200000000000003 111.334 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.8 mttt 54.71 68.17 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.482 -0.326 . . . . 70.099999999999994 111.066 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -143.07 60.94 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.913 0.387 . . . . 64.400000000000006 110.858 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.663 ' HA ' HD22 ' A' ' 70' ' ' LEU . 13.8 m-85 -64.64 -31.48 72.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 61.100000000000001 110.854 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -71.28 -36.29 71.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.779 0.324 . . . . 74.400000000000006 110.853 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -83.0 -45.97 13.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 72.299999999999997 110.956 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.79 -30.49 65.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 53.200000000000003 111.218 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.533 HD11 ' HB2' ' A' ' 71' ' ' LYS . 4.8 tt -63.26 -56.37 17.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.413 . . . . 73.299999999999997 110.905 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -59.31 -34.58 72.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 72.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.711 HD22 ' CB ' ' A' ' 15' ' ' LYS . 9.5 mt -72.59 -31.18 64.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 65.5 110.897 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.573 ' CE2' ' HB1' ' A' ' 16' ' ' ALA . 6.8 m-85 -73.08 -45.47 57.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 74.400000000000006 110.913 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.784 ' OE1' HD23 ' B' ' 125' ' ' LEU . 16.4 mt-30 -59.5 -38.87 82.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 74.099999999999994 110.93 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.723 ' CB ' HD22 ' A' ' 12' ' ' LEU . 42.9 m-70 -66.88 -44.37 81.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 74.200000000000003 110.904 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.11 -57.48 12.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 54.0 111.101 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.896 HG11 HD12 ' A' ' 64' ' ' LEU . 21.6 t -59.6 -41.15 84.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 63.0 111.091 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -60.25 -50.29 74.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 74.200000000000003 110.88 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -63.45 -31.44 72.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 64.200000000000003 110.877 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -69.28 -43.03 74.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 75.099999999999994 110.916 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.858 ' HA ' HD12 ' A' ' 43' ' ' ILE . 85.7 mt -60.2 -35.59 75.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 75.400000000000006 110.891 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -74.36 -31.25 62.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 64.299999999999997 110.893 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.75 -30.84 67.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 63.100000000000001 111.15 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.858 HD12 ' HA ' ' A' ' 40' ' ' LEU . 6.0 mt -71.86 -54.96 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 71.099999999999994 111.061 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -31.52 70.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 72.200000000000003 110.926 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -76.94 -74.47 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 50.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -134.83 121.62 20.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 73.299999999999997 110.666 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -118.32 150.82 38.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.101 -0.499 . . . . 51.200000000000003 111.008 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -68.14 -66.75 0.53 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.048 -0.524 . . . . 75.400000000000006 111.038 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 p -160.75 -177.52 6.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.082 -0.508 . . . . 51.299999999999997 110.982 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -64.77 -47.98 76.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.951 0.405 . . . . 64.200000000000003 111.039 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -60.52 -45.73 92.73 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.991 -0.55 . . . . 64.299999999999997 111.039 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.518 ' O ' HD12 ' A' ' 56' ' ' ILE . . . -63.9 -40.76 97.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 74.299999999999997 111.127 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -60.39 -31.5 70.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.969 -0.56 . . . . 73.299999999999997 110.744 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -71.41 -39.17 71.27 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.278 -0.419 . . . . 73.299999999999997 110.884 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.4 t -71.03 -46.2 62.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 64.299999999999997 110.798 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 52' ' ' ALA . 4.5 mt -62.37 -31.29 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 51.299999999999997 111.007 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.594 ' O ' HG23 ' A' ' 61' ' ' VAL . 20.6 mtp180 -65.63 -51.06 62.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 72.400000000000006 110.878 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.04 -32.97 66.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 71.200000000000003 111.103 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -71.45 -30.77 66.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 110.847 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 70.8 m -79.52 -46.26 17.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 74.400000000000006 110.898 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.954 HG22 HD22 ' B' ' 118' ' ' LEU . 21.8 t -58.86 -31.57 45.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 73.099999999999994 111.131 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -78.18 -41.55 34.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 74.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.463 ' CZ ' HG11 ' A' ' 13' ' ' VAL . 9.4 m-85 -71.17 -31.73 68.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 74.200000000000003 110.889 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.896 HD12 HG11 ' A' ' 36' ' ' VAL . 2.4 tt -70.34 -40.79 73.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 62.299999999999997 110.866 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -65.74 -34.4 78.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 72.299999999999997 110.912 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -67.79 -39.7 84.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 74.299999999999997 110.885 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.748 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -59.64 -50.51 73.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 53.399999999999999 111.128 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.474 ' HA ' HD11 ' B' ' 125' ' ' LEU . 6.9 pt-20 -60.21 -31.8 70.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 72.200000000000003 110.905 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 57.3 tttt -66.97 -40.84 87.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 72.5 110.93 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.748 HD12 ' HA ' ' A' ' 67' ' ' ALA . 4.1 mt -64.82 -31.89 73.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 71.200000000000003 110.904 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.533 ' HB2' HD11 ' A' ' 29' ' ' LEU . 8.3 tttt -66.16 -44.21 84.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 73.400000000000006 110.885 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.63 -31.27 66.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 74.099999999999994 110.875 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.5 ' CE1' ' CE2' ' A' ' 25' ' ' TYR . 12.8 t80 -60.31 -42.33 95.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.971 -0.559 . . . . 72.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.5 mt -83.74 -40.6 18.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.154 -0.475 . . . . 75.099999999999994 110.985 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 63.299999999999997 111.178 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . 0.622 ' HA ' HD21 ' B' ' 118' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.769 0.318 . . . . 75.400000000000006 110.879 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -69.88 -30.09 67.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 64.299999999999997 110.984 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -59.06 -60.36 4.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 74.099999999999994 110.955 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.954 HD22 HG22 ' A' ' 61' ' ' VAL . 1.0 OUTLIER -71.85 -29.68 64.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 72.099999999999994 110.954 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 38.2 t -60.98 -41.81 97.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 43.100000000000001 110.926 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 26.1 mtm180 -70.83 -43.0 69.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 63.100000000000001 110.877 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -60.59 -31.95 71.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 71.200000000000003 110.904 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.409 ' HB2' HD11 ' A' ' 64' ' ' LEU . 1.4 tt -70.3 -43.31 70.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 61.399999999999999 110.864 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.07 -31.3 69.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 73.200000000000003 111.074 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.67 -34.47 53.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 64.299999999999997 111.078 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.784 HD23 ' OE1' ' A' ' 33' ' ' GLN . 3.4 tp . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 74.200000000000003 110.916 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.5 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.804 0.335 . . . . 73.099999999999994 110.871 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.475 ' O ' HD12 ' A' ' 10' ' ' ILE . 4.4 mm? -73.49 -47.93 37.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 74.099999999999994 110.905 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -60.34 -39.89 88.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.221 -0.445 . . . . 75.400000000000006 110.783 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -72.17 -37.85 69.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 63.200000000000003 110.882 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.14 -47.13 84.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 73.200000000000003 111.082 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.475 HD12 ' O ' ' A' ' 6' ' ' LEU . 4.6 mt -63.55 -49.43 82.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 53.5 111.079 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.47 -31.2 69.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 70.400000000000006 110.927 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.424 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 27.5 mt -71.1 -51.1 27.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 62.399999999999999 110.894 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.627 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 11.8 p -66.75 -34.75 72.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 74.299999999999997 111.14 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 73.6 m -59.2 -55.54 33.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 70.299999999999997 110.893 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 mttp -60.69 -31.31 70.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 72.5 110.887 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.546 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -67.07 -41.27 86.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 72.0 111.106 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.21 -43.11 96.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 62.0 110.724 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -62.15 -39.43 92.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.938 0.399 . . . . 72.400000000000006 110.844 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.89 -51.72 68.8 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.244 -0.435 . . . . 74.299999999999997 110.846 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -57.74 -29.93 65.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 54.299999999999997 111.075 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -78.99 -26.25 43.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.389 -0.368 . . . . 63.399999999999999 110.871 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.05 29.46 3.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.75 0.31 . . . . 74.299999999999997 111.257 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 mttt 59.01 36.68 24.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 73.299999999999997 111.062 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -121.55 77.52 1.35 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.22 -0.446 . . . . 72.200000000000003 110.933 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.489 ' CD1' HD22 ' A' ' 70' ' ' LEU . 24.7 m-85 -74.7 -31.29 61.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.019 -0.537 . . . . 73.200000000000003 110.92 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.45 ' N ' HD11 ' A' ' 74' ' ' LEU . 5.6 tp10 -62.64 -52.03 64.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.394 -0.366 . . . . 74.099999999999994 110.808 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -71.31 -41.1 70.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 72.099999999999994 110.892 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.01 -46.26 90.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 51.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.549 HD13 ' C ' ' A' ' 29' ' ' LEU . 3.5 tm? -59.71 -46.38 89.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 61.100000000000001 110.848 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.0 mmt-85 -60.1 -48.9 79.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 70.099999999999994 110.955 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.546 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 11.2 mt -70.71 -31.29 68.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 64.099999999999994 110.974 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.507 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.2 m-85 -59.88 -60.81 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 74.5 110.915 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.644 ' HB3' HD23 ' B' ' 125' ' ' LEU . 3.7 pt20 -59.62 -31.21 69.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 75.0 110.932 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -67.95 -40.82 83.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 71.299999999999997 110.938 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.507 ' HB2' ' N ' ' A' ' 13' ' ' VAL . . . -68.69 -37.06 79.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 71.299999999999997 111.102 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 32' ' ' TYR . 24.9 t -73.78 -35.49 43.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 73.099999999999994 111.131 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.619 ' HG2' HD21 ' B' ' 122' ' ' LEU . 1.5 tm-20 -60.04 -44.1 94.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 75.099999999999994 110.907 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -69.7 -34.81 74.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 72.400000000000006 110.903 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -60.3 -50.62 72.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 73.299999999999997 110.869 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.513 ' CD1' HD13 ' B' ' 122' ' ' LEU . 75.5 mt -59.14 -40.86 86.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 62.200000000000003 110.928 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -60.19 -31.17 69.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 71.5 110.874 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.95 -33.66 66.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 75.099999999999994 111.134 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.963 HD11 HG21 ' A' ' 56' ' ' ILE . 31.7 mt -71.37 -51.48 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 61.5 111.115 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.425 ' HE3' ' CD1' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -60.1 -35.89 76.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 74.099999999999994 110.936 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.425 ' CD1' ' HE3' ' A' ' 44' ' ' LYS . 4.5 m-85 -75.39 -31.58 60.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 60.5 110.864 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -165.53 154.9 12.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 55.100000000000001 110.858 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.13 132.72 5.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.131 -0.486 . . . . 65.299999999999997 111.289 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -63.55 -74.72 0.09 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 64.200000000000003 110.672 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.9 m -144.67 -178.23 5.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.295 -0.411 . . . . 52.299999999999997 111.107 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -64.97 -37.97 89.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.341 -0.391 . . . . 65.299999999999997 110.899 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -60.11 -52.63 64.51 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.262 -0.426 . . . . 75.200000000000003 110.71 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.84 -42.81 94.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 64.400000000000006 111.219 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -60.53 -33.01 72.02 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 121.024 0.44 . . . . 73.299999999999997 111.075 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -64.89 -43.41 93.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.092 -0.504 . . . . 71.299999999999997 110.929 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.0 t -60.4 -37.8 81.96 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.964 -0.562 . . . . 73.299999999999997 111.172 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.963 HG21 HD11 ' A' ' 43' ' ' ILE . 32.3 mt -71.42 -35.86 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 116.34 -0.391 . . . . 75.5 110.991 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -61.83 -55.38 30.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 74.200000000000003 110.857 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.495 ' HA ' HG12 ' A' ' 61' ' ' VAL . . . -59.84 -30.73 69.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 61.0 111.088 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 6.5 ttmt -74.76 -31.64 61.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 70.200000000000003 110.751 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 99.8 m -80.62 -45.68 16.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 71.200000000000003 110.897 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 58' ' ' ALA . 12.4 p -58.47 -38.33 69.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 74.5 111.102 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -72.35 -40.57 67.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 64.400000000000006 110.836 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.627 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 2.9 m-85 -64.81 -32.28 73.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 63.399999999999999 110.857 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.413 ' CD1' HG11 ' A' ' 36' ' ' VAL . 1.9 mp -72.11 -36.02 69.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 75.299999999999997 110.799 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.44 -52.44 65.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 55.399999999999999 110.892 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -41.33 97.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 63.399999999999999 110.847 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.411 ' HB1' ' CD2' ' A' ' 29' ' ' LEU . . . -57.53 -45.68 84.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 55.100000000000001 111.059 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -58.97 -37.14 76.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 74.099999999999994 110.754 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.29 -30.4 54.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.067 -0.515 . . . . 73.200000000000003 111.065 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.489 HD22 ' CD1' ' A' ' 25' ' ' TYR . 27.9 mt -69.21 -53.03 22.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 73.5 110.865 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -60.89 -37.92 83.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 61.399999999999999 110.902 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -73.66 -30.42 62.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 71.200000000000003 110.91 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.457 ' CE1' ' CE2' ' A' ' 25' ' ' TYR . 46.3 t80 -59.87 -45.37 92.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.099 -0.5 . . . . 74.5 110.893 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.45 HD11 ' N ' ' A' ' 26' ' ' GLU . 4.0 mt -76.19 -31.56 58.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.114 -0.494 . . . . 74.200000000000003 110.994 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 116.219 -0.446 . . . . 65.400000000000006 110.88 -179.933 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . 0.565 ' HA ' HD21 ' B' ' 118' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.831 0.348 . . . . 61.100000000000001 110.911 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -67.22 -30.26 70.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 75.099999999999994 110.923 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -59.35 -60.43 3.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 71.200000000000003 110.944 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.58 HD23 ' H ' ' B' ' 118' ' ' LEU . 0.8 OUTLIER -72.93 -30.84 64.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 62.100000000000001 110.937 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 40.1 t -60.21 -47.29 86.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 75.200000000000003 110.872 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 11.7 mtt85 -67.42 -39.14 85.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 63.200000000000003 110.884 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -66.19 -36.99 84.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 75.200000000000003 110.851 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.619 HD21 ' HG2' ' A' ' 37' ' ' GLU . 7.8 tt -60.92 -45.56 94.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 74.200000000000003 110.889 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.2 -53.53 56.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 70.200000000000003 111.095 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.87 -30.14 68.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 73.299999999999997 111.106 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.644 HD23 ' HB3' ' A' ' 33' ' ' GLN . 5.5 tp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 71.299999999999997 110.965 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.9 m . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 120.8 0.333 . . . . 72.200000000000003 110.827 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.26 -44.57 75.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 61.299999999999997 110.878 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -30.98 70.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 72.200000000000003 111.201 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -81.9 -38.35 25.44 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.134 -0.485 . . . . 63.299999999999997 111.158 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.14 87.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 73.400000000000006 111.117 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.0 mt -77.46 -43.67 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 44.399999999999999 111.135 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -59.55 -31.59 69.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 75.400000000000006 110.912 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.82 HD22 ' HB3' ' A' ' 34' ' ' HIS . 16.5 mt -71.82 -56.13 6.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 63.5 110.918 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.702 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 11.7 p -59.78 -35.12 58.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 73.5 111.098 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.7 m -60.19 -47.1 87.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 75.0 110.821 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.7 mttt -65.85 -33.68 76.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 64.299999999999997 110.881 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.516 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -66.98 -31.3 71.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 70.200000000000003 111.052 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.74 -50.65 48.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 71.200000000000003 110.779 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -61.5 -32.98 73.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 73.299999999999997 111.074 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -54.75 42.01 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 115.894 -0.594 . . . . 70.400000000000006 111.001 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -57.8 -30.55 65.78 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.241 -0.436 . . . . 72.5 110.713 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -76.59 -27.47 55.82 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.053 -0.521 . . . . 75.0 110.937 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.57 29.39 3.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.44 -0.345 . . . . 70.299999999999997 111.098 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt 58.85 38.27 24.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.419 . . . . 73.400000000000006 110.929 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -122.26 79.2 1.57 Allowed 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.221 -0.445 . . . . 72.299999999999997 110.874 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.492 ' CE2' ' CE1' ' A' ' 73' ' ' TYR . 26.4 m-85 -77.47 -35.36 53.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.413 -0.358 . . . . 75.0 110.744 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.503 ' CA ' HD11 ' A' ' 74' ' ' LEU . 1.5 tt0 -67.7 -33.11 74.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.828 0.347 . . . . 62.200000000000003 110.862 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -83.01 -34.81 26.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 73.299999999999997 110.851 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.56 -38.03 86.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 55.399999999999999 111.132 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.709 HD23 ' O ' ' A' ' 29' ' ' LEU . 3.2 tt -60.23 -38.14 82.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 62.100000000000001 110.906 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -65.0 -54.95 22.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 64.5 110.869 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.516 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 3.8 mm? -60.26 -31.83 70.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 73.400000000000006 110.904 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.798 ' O ' HG23 ' A' ' 36' ' ' VAL . 5.4 m-85 -70.44 -31.52 68.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 65.099999999999994 110.875 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.553 ' HG2' HD23 ' B' ' 125' ' ' LEU . 23.7 mt-30 -72.2 -54.09 10.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 72.5 110.91 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.82 ' HB3' HD22 ' A' ' 12' ' ' LEU . 1.9 t-160 -60.24 -40.4 90.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 45.100000000000001 110.937 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.474 ' HB2' ' CB ' ' A' ' 12' ' ' LEU . . . -59.67 -53.94 52.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 75.299999999999997 111.113 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.977 HG11 HD23 ' A' ' 64' ' ' LEU . 28.5 t -63.54 -36.49 76.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 52.299999999999997 111.047 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -60.42 -48.2 82.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 74.400000000000006 110.867 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -65.52 -31.71 72.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 74.200000000000003 110.899 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -62.77 -50.77 69.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 62.399999999999999 110.896 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.1 mt -60.34 -33.14 71.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 75.299999999999997 110.875 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -78.18 -31.75 49.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 74.299999999999997 110.913 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.18 -40.81 74.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 61.100000000000001 111.034 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.475 HD11 ' CG2' ' A' ' 56' ' ' ILE . 23.5 mt -77.56 -31.19 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 71.5 111.091 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.7 tttp -72.01 -34.34 68.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 70.299999999999997 110.872 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -83.93 -33.12 24.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 73.400000000000006 110.9 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -157.01 137.67 13.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 71.299999999999997 110.779 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.48 174.21 10.84 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.151 -0.477 . . . . 74.5 111.126 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.456 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 2.2 t-80 -104.28 -65.55 1.02 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 71.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.1 -176.71 4.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 53.399999999999999 110.775 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -48.89 78.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.927 -0.579 . . . . 73.0 110.834 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -60.16 -52.94 63.2 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.119 -0.491 . . . . 65.099999999999994 110.832 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.456 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -59.8 -45.09 93.41 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.181 0.515 . . . . 72.400000000000006 111.125 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -60.52 -31.7 70.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 72.5 110.926 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -63.46 -47.4 82.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.248 -0.433 . . . . 72.400000000000006 110.922 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.3 m -60.49 -42.03 95.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 65.299999999999997 111.112 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.475 ' CG2' HD11 ' A' ' 43' ' ' ILE . 31.8 mt -71.43 -33.67 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-O 120.816 0.341 . . . . 74.099999999999994 110.938 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.613 ' O ' HG23 ' A' ' 61' ' ' VAL . 9.6 mtm180 -68.37 -51.75 40.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 75.299999999999997 110.876 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.95 -34.99 68.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 74.099999999999994 111.064 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -70.19 -30.74 67.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 65.200000000000003 110.848 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 79.3 m -78.85 -46.27 18.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 55.299999999999997 110.922 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.703 HG22 HD22 ' B' ' 118' ' ' LEU . 21.8 t -58.52 -31.03 42.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 72.0 111.143 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -77.13 -41.06 43.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 55.399999999999999 110.87 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.702 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 10.5 m-85 -68.91 -34.97 76.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 73.200000000000003 110.864 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.977 HD23 HG11 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -67.48 -42.24 83.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 73.099999999999994 110.899 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -61.04 -39.03 88.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 110.839 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.9 mtp85 -66.1 -33.74 76.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 62.5 110.935 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.454 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -62.27 -51.66 66.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 61.200000000000003 111.098 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.401 ' HA ' HD11 ' B' ' 125' ' ' LEU . 6.3 pt-20 -60.17 -31.52 70.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 61.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -67.21 -39.33 86.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 63.200000000000003 110.917 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 67' ' ' ALA . 11.1 mt -67.13 -34.93 78.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 65.099999999999994 110.903 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.589 ' HB2' HD11 ' A' ' 29' ' ' LEU . 2.6 tttm -63.57 -44.74 93.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 65.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -64.6 -31.48 72.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 63.5 110.877 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.492 ' CE1' ' CE2' ' A' ' 25' ' ' TYR . 38.7 t80 -60.27 -52.52 64.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 70.299999999999997 110.991 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.503 HD11 ' CA ' ' A' ' 26' ' ' GLU . 5.1 mt -73.74 -40.34 63.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.041 -0.527 . . . . 72.0 110.954 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 116.216 -0.447 . . . . 71.299999999999997 110.804 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 115' ' ' GLU . . . . . 0.641 ' HA ' HD21 ' B' ' 118' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.826 0.346 . . . . 72.299999999999997 110.914 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -70.05 -30.18 67.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 63.299999999999997 110.975 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -59.08 -60.37 3.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 71.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.703 HD22 HG22 ' A' ' 61' ' ' VAL . 0.9 OUTLIER -71.59 -29.85 65.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 71.299999999999997 110.949 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 44.6 t -64.82 -39.8 94.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 71.400000000000006 110.892 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -68.74 -45.75 70.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 74.299999999999997 110.899 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -60.32 -31.63 70.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 71.099999999999994 110.912 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.651 ' HG ' HD21 ' A' ' 64' ' ' LEU . 2.0 tt -66.3 -48.02 71.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 62.299999999999997 110.905 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.98 -35.03 74.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 73.099999999999994 111.071 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.86 -31.72 61.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 73.299999999999997 111.079 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.553 HD23 ' HG2' ' A' ' 33' ' ' GLN . 5.7 tp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 65.299999999999997 110.913 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.451 -0.379 0 CA-C-O 120.778 0.323 . . . . 72.200000000000003 110.842 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.15 -53.09 61.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 61.299999999999997 110.85 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -60.01 -43.78 95.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 72.200000000000003 110.755 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.423 ' O ' HD12 ' A' ' 12' ' ' LEU . 23.5 mttt -62.38 -34.67 77.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 63.299999999999997 111.039 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.515 ' HB1' ' CE1' ' A' ' 39' ' ' PHE . . . -69.13 -41.94 76.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 73.400000000000006 111.051 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.3 mt -77.5 -46.03 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 44.399999999999999 111.105 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.82 -33.08 71.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 75.400000000000006 110.897 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.583 HD22 ' HB3' ' A' ' 34' ' ' HIS . 12.1 mt -69.66 -53.82 16.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 63.5 110.884 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.608 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 11.9 p -62.89 -34.96 69.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 73.5 111.092 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.3 m -60.24 -41.42 93.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 75.0 110.841 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -70.54 -31.58 68.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 64.299999999999997 110.852 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.632 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -68.92 -40.85 78.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 70.200000000000003 111.061 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.44 -49.56 76.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 71.200000000000003 110.811 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -60.07 -38.3 82.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 73.299999999999997 110.996 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -62.65 -48.62 78.54 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.959 -0.564 . . . . 70.400000000000006 110.817 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -57.2 -30.07 64.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 72.5 110.971 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.6 mttp -77.27 -26.38 52.37 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.407 -0.36 . . . . 75.0 111.045 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.15 28.79 3.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.085 -0.507 . . . . 70.299999999999997 111.164 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt 58.05 30.9 19.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.132 0.491 . . . . 73.400000000000006 111.129 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -110.07 80.72 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 72.299999999999997 110.949 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.638 ' HB2' HD11 ' A' ' 74' ' ' LEU . 14.8 m-85 -71.16 -38.22 72.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 75.0 110.828 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.717 ' HG2' HD13 ' A' ' 74' ' ' LEU . 32.2 mt-10 -61.98 -60.17 4.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.878 0.37 . . . . 62.200000000000003 110.868 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.491 ' O ' HD23 ' A' ' 31' ' ' LEU . 1.9 mt-10 -62.34 -30.65 71.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 73.299999999999997 110.947 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.84 -30.87 64.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 55.399999999999999 111.155 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.524 HD13 ' C ' ' A' ' 29' ' ' LEU . 3.2 tm? -72.98 -49.03 31.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 62.100000000000001 110.966 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -59.09 -36.84 75.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 64.5 110.938 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.632 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 2.9 mm? -75.43 -31.5 60.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 73.400000000000006 110.843 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.418 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.1 m-85 -71.24 -54.79 9.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 65.099999999999994 110.906 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -59.67 -31.78 69.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 72.5 110.886 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.583 ' HB3' HD22 ' A' ' 12' ' ' LEU . 11.9 m80 -73.91 -35.83 64.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 45.100000000000001 110.879 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.49 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -72.51 -55.13 7.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 75.299999999999997 111.092 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.6 t -59.69 -41.66 86.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 52.299999999999997 111.118 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.695 ' HB2' HD21 ' B' ' 122' ' ' LEU . 5.6 tm-20 -60.01 -39.88 87.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 74.400000000000006 110.926 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -73.97 -31.52 63.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 74.200000000000003 110.887 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.515 ' CE1' ' HB1' ' A' ' 9' ' ' ALA . 3.7 m-85 -66.87 -47.93 70.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 62.399999999999999 110.876 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.901 ' HA ' HD12 ' A' ' 43' ' ' ILE . 78.1 mt -59.93 -44.86 94.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 75.299999999999997 110.922 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -60.36 -31.5 70.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 74.299999999999997 110.916 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.22 -34.29 68.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 61.100000000000001 111.163 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.901 HD12 ' HA ' ' A' ' 40' ' ' LEU . 9.5 mt -69.51 -49.37 60.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 71.5 111.06 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.23 -32.51 71.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 70.299999999999997 110.889 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -80.48 -53.98 6.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 73.400000000000006 110.924 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -137.92 150.03 46.72 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.204 -0.453 . . . . 71.299999999999997 111.07 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.68 171.5 18.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 74.5 111.102 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 64.8 m170 -103.21 -54.23 2.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.306 -0.406 . . . . 71.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.4 m -173.5 -176.04 1.23 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.173 -0.467 . . . . 53.399999999999999 110.94 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.24 -39.88 91.94 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.006 -0.543 . . . . 73.0 110.965 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -60.24 -59.18 5.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.186 -0.461 . . . . 65.099999999999994 110.749 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.14 -43.74 95.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 72.400000000000006 111.211 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -60.16 -31.43 70.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.44 . . . . 72.5 110.97 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -68.1 -46.77 70.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 72.400000000000006 110.884 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.8 m -60.54 -38.31 84.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.277 -0.42 . . . . 65.299999999999997 110.611 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.0 mt -74.54 -31.43 27.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.062 -0.517 . . . . 74.099999999999994 111.064 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.905 ' O ' HG23 ' A' ' 61' ' ' VAL . 22.9 mtt180 -71.59 -48.67 46.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 75.299999999999997 110.882 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.05 -39.85 83.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 74.099999999999994 111.085 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -69.02 -31.33 70.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 65.200000000000003 110.845 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 68.2 m -78.35 -44.61 24.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 55.299999999999997 110.886 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.7 t -58.7 -38.43 71.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 72.0 111.114 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -71.99 -38.33 69.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 55.399999999999999 110.867 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.608 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 4.5 m-85 -67.54 -34.31 76.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 73.200000000000003 110.893 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.456 HD22 ' HB2' ' B' ' 118' ' ' LEU . 15.0 tp -66.89 -41.7 86.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 73.099999999999994 110.856 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.27 -42.2 94.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 74.400000000000006 110.882 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.0 mtp85 -64.4 -32.46 74.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 62.5 110.842 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.642 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -62.42 -55.16 30.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 61.200000000000003 111.13 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -57.75 -30.31 65.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 61.0 110.961 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -71.72 -30.38 65.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 63.200000000000003 110.921 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.642 HD12 ' HA ' ' A' ' 67' ' ' ALA . 5.8 mt -77.63 -50.61 12.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 65.099999999999994 110.895 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -60.42 -32.03 70.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 65.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -77.77 -31.52 52.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 63.5 110.905 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -60.33 -43.91 95.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 70.299999999999997 110.867 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.717 HD13 ' HG2' ' A' ' 26' ' ' GLU . 2.1 mt -84.66 -40.87 16.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.129 0.49 . . . . 72.0 111.064 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 . . . . . 0 CA--C 1.521 -0.169 0 CA-C-N 115.971 -0.559 . . . . 71.299999999999997 111.264 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . 0.612 ' HA ' HD21 ' B' ' 118' ' ' LEU . 2.9 tt0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.872 0.368 . . . . 72.299999999999997 110.884 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.36 -30.32 67.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 63.299999999999997 110.947 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -59.27 -60.39 3.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 71.0 110.961 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.87 HD22 HG22 ' A' ' 61' ' ' VAL . 1.0 OUTLIER -72.24 -29.52 64.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 71.299999999999997 110.94 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 36.7 t -64.86 -35.05 79.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 71.400000000000006 110.93 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.63 -50.37 13.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 74.299999999999997 110.888 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -60.71 -31.9 71.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 71.099999999999994 110.938 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.695 HD21 ' HB2' ' A' ' 37' ' ' GLU . 8.9 tt -69.04 -45.13 71.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 62.299999999999997 110.84 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.85 -31.19 69.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 73.099999999999994 111.096 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.33 -33.65 63.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 73.299999999999997 111.097 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.423 HD21 HD21 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -60.84 -54.69 42.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 65.299999999999997 110.958 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -60.8 -46.69 89.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 63.299999999999997 110.944 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.225 -0.893 . . . . 75.400000000000006 110.921 179.949 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.843 0.354 . . . . 72.099999999999994 110.93 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.6 -48.46 77.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 73.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -60.36 -32.26 71.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 63.399999999999999 110.901 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -82.85 -35.2 26.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 74.299999999999997 110.69 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.647 ' HB1' ' CE1' ' A' ' 39' ' ' PHE . . . -60.16 -39.83 87.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 74.099999999999994 111.09 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.6 mt -77.65 -44.16 29.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 74.400000000000006 111.097 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -59.98 -31.27 69.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 72.5 110.941 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.714 HD22 ' HB2' ' A' ' 34' ' ' HIS . 13.6 mt -71.74 -55.74 7.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 63.5 110.917 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.512 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 11.9 p -59.75 -37.76 72.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 72.400000000000006 111.127 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 91.1 m -60.33 -52.22 66.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 60.0 110.831 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.702 ' HB3' HD13 ' A' ' 31' ' ' LEU . 10.9 mttp -61.35 -32.69 72.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 74.400000000000006 110.837 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.418 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -68.11 -39.29 82.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 35.399999999999999 111.106 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.34 -43.38 96.49 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.188 -0.46 . . . . 75.299999999999997 110.775 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -61.91 -40.09 94.28 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.619 -0.264 . . . . 55.0 110.561 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -51.36 70.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.954 0.407 . . . . 75.400000000000006 110.897 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -57.21 -30.3 64.45 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.082 -0.508 . . . . 75.299999999999997 111.117 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -79.61 -26.94 41.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.015 0.436 . . . . 74.400000000000006 111.213 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.54 29.56 3.25 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.69 -0.686 . . . . 54.299999999999997 111.092 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.0 mttm 60.17 39.49 19.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 64.299999999999997 110.717 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -122.2 77.33 1.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.392 -0.367 . . . . 75.5 110.989 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.489 ' CD1' HD22 ' A' ' 70' ' ' LEU . 28.2 m-85 -71.09 -46.12 62.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.861 -0.608 . . . . 73.200000000000003 110.837 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -62.26 -45.74 91.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 74.200000000000003 110.934 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -64.1 -45.34 89.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 75.099999999999994 110.899 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.81 -40.97 90.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 42.100000000000001 111.075 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.723 ' O ' HD13 ' A' ' 29' ' ' LEU . 2.3 tm? -60.19 -38.48 83.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 74.400000000000006 110.892 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.1 mtt-85 -61.26 -53.18 60.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 74.200000000000003 110.92 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.702 HD13 ' HB3' ' A' ' 15' ' ' LYS . 3.8 mt -70.25 -31.89 69.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 74.200000000000003 110.868 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.619 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.2 m-85 -63.28 -46.45 86.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 52.399999999999999 110.878 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -60.31 -49.68 76.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 71.5 110.956 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.714 ' HB2' HD22 ' A' ' 12' ' ' LEU . 16.3 m-70 -60.29 -35.87 76.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 62.200000000000003 110.929 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.655 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -68.2 -52.38 35.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 23.0 111.101 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 32' ' ' TYR . 27.8 t -63.42 -40.61 89.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 72.200000000000003 111.075 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -60.46 -53.64 55.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 61.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -60.27 -31.56 70.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 64.200000000000003 110.922 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.647 ' CE1' ' HB1' ' A' ' 9' ' ' ALA . 4.8 m-85 -62.1 -52.55 63.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 74.200000000000003 110.902 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.668 ' HA ' HD12 ' A' ' 43' ' ' ILE . 41.0 mt -60.3 -31.49 70.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 71.400000000000006 110.941 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -66.5 -35.3 79.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 60.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.54 -29.75 63.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 72.5 111.154 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.668 HD12 ' HA ' ' A' ' 40' ' ' LEU . 21.6 mt -73.91 -31.91 32.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 73.400000000000006 111.138 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.5 pttt -85.2 -41.88 15.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 75.400000000000006 110.926 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -69.97 -74.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 74.200000000000003 110.898 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -128.51 107.63 9.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 71.5 110.725 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.451 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -115.83 139.2 50.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.131 -0.486 . . . . 53.0 111.355 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -60.48 -74.51 0.08 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.042 -0.526 . . . . 71.400000000000006 110.755 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.9 m -153.94 -177.41 6.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 62.299999999999997 110.945 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -59.83 -36.52 76.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.979 0.418 . . . . 51.5 111.165 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -64.77 -47.67 77.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.986 -0.552 . . . . 74.299999999999997 110.809 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.37 -34.74 68.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 71.0 111.238 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.616 ' HG2' HG23 ' A' ' 43' ' ' ILE . 38.2 mtmt -66.95 -31.55 72.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 75.299999999999997 110.967 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -76.11 -39.78 54.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 74.5 110.906 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.4 m -60.26 -40.87 91.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.07 -0.514 . . . . 63.399999999999999 110.903 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.2 mt -75.46 -38.49 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 116.368 -0.378 . . . . 64.200000000000003 110.966 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.694 ' O ' HG23 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -60.51 -56.24 23.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 75.099999999999994 110.891 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.25 -39.7 76.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 65.400000000000006 111.077 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -68.88 -30.32 68.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 43.399999999999999 110.829 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 57.4 m -74.73 -40.62 61.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 74.5 110.867 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.6 t -58.74 -43.65 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 72.099999999999994 111.105 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.93 -35.44 76.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 64.299999999999997 110.896 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.512 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 5.8 m-85 -68.34 -33.43 74.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 72.400000000000006 110.881 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.534 HD13 ' HB2' ' B' ' 118' ' ' LEU . 0.6 OUTLIER -67.4 -41.45 84.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 72.5 110.86 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.69 -43.76 97.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 75.200000000000003 110.869 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.3 mmm-85 -63.62 -33.06 74.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 71.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.618 ' HB1' HD21 ' A' ' 29' ' ' LEU . . . -60.12 -53.97 51.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 72.200000000000003 111.092 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -59.4 -31.11 68.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 64.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.1 tttm -67.58 -31.38 71.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 71.200000000000003 110.901 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.489 HD22 ' CD1' ' A' ' 25' ' ' TYR . 74.8 mt -78.86 -48.56 14.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 60.299999999999997 110.85 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -65.63 -33.15 75.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 64.200000000000003 110.815 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -78.25 -31.18 49.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 71.400000000000006 110.911 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.485 ' CE2' ' CE2' ' A' ' 25' ' ' TYR . 84.5 t80 -60.18 -62.06 2.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.069 -0.514 . . . . 64.0 110.729 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.454 HD11 ' HB2' ' A' ' 25' ' ' TYR . 35.6 mt -65.65 -41.08 92.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.384 -0.371 . . . . 74.099999999999994 110.859 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 74.5 111.22 179.787 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . 0.624 ' HA ' HD21 ' B' ' 118' ' ' LEU . 1.3 tt0 . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.823 0.344 . . . . 71.200000000000003 110.904 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.7 -29.99 67.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 72.299999999999997 110.947 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -58.89 -60.39 3.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 74.200000000000003 110.988 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.69 HD22 HG22 ' A' ' 61' ' ' VAL . 1.0 OUTLIER -71.9 -29.6 64.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 73.299999999999997 110.971 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 40.7 t -61.07 -45.97 92.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 63.200000000000003 110.885 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -69.23 -40.96 77.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 75.400000000000006 110.914 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -60.39 -42.0 94.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 71.299999999999997 110.886 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.42 -45.46 93.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 63.200000000000003 110.925 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.03 -36.44 77.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 75.0 111.071 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.05 -32.54 59.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 73.299999999999997 111.144 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.45 HD21 ' HB1' ' A' ' 67' ' ' ALA . 21.4 tp -65.66 -57.88 7.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 72.400000000000006 110.893 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 2.7 ptt180 -80.18 179.99 7.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 74.299999999999997 110.898 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.287 -0.863 . . . . 74.099999999999994 110.855 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 120.795 0.331 . . . . 70.400000000000006 110.817 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.31 -44.21 92.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 72.099999999999994 110.851 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -60.12 -31.39 70.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 43.399999999999999 110.959 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.562 ' O ' HD12 ' A' ' 12' ' ' LEU . 10.1 mmtt -77.96 -32.21 51.32 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.14 -0.482 . . . . 75.200000000000003 111.165 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.29 -37.69 77.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.046 -0.524 . . . . 53.299999999999997 111.099 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.7 mt -77.45 -47.49 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 53.5 111.129 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -60.0 -31.27 69.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 73.099999999999994 110.903 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.626 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 20.3 mt -73.11 -54.93 7.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 64.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.494 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 11.9 p -60.35 -38.21 76.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 63.100000000000001 111.129 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.9 m -59.32 -51.59 69.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 73.5 110.9 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -61.61 -33.7 74.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 75.400000000000006 110.869 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.26 -32.37 73.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 74.5 111.112 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.29 -49.93 65.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 74.400000000000006 110.93 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -59.94 -31.56 69.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 74.400000000000006 110.857 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.557 ' HG3' HD12 ' A' ' 31' ' ' LEU . 18.1 mm-40 -62.26 -54.12 45.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.293 -0.412 . . . . 74.400000000000006 110.887 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -57.17 -30.12 64.22 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.983 -0.553 . . . . 73.0 111.041 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.99 -26.85 48.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.531 -0.304 . . . . 65.099999999999994 110.99 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.11 28.87 3.37 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.116 -0.493 . . . . 44.0 111.307 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? 58.93 38.18 24.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.082 0.467 . . . . 70.299999999999997 111.039 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -123.0 80.46 1.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 75.400000000000006 111.05 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.623 ' CD1' HD22 ' A' ' 70' ' ' LEU . 31.4 m-85 -79.06 -40.51 31.09 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.063 -0.517 . . . . 74.5 110.928 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.61 -35.47 79.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.928 -0.578 . . . . 72.299999999999997 110.871 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -83.02 -31.03 27.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 52.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.63 -41.07 76.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 52.100000000000001 111.118 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 67' ' ' ALA . 3.2 tm? -61.27 -48.86 79.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 70.099999999999994 110.88 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -60.29 -39.41 86.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 73.299999999999997 110.913 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.557 HD12 ' HG3' ' A' ' 19' ' ' GLU . 16.6 mt -74.09 -36.35 64.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 73.299999999999997 110.902 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.444 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.5 m-85 -67.13 -42.06 85.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 71.5 110.921 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.454 ' CD ' HD23 ' B' ' 125' ' ' LEU . 12.7 mt-30 -60.15 -50.21 74.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 73.299999999999997 110.912 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.427 ' C ' HD13 ' A' ' 12' ' ' LEU . 14.2 m80 -62.42 -31.54 72.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 74.200000000000003 110.919 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.626 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -68.37 -59.48 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 74.200000000000003 111.098 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.5 t -59.69 -32.66 49.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 75.0 111.117 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -60.37 -43.46 96.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 63.399999999999999 110.911 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -70.3 -31.68 69.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 71.299999999999997 110.913 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -63.0 -51.87 65.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 72.400000000000006 110.894 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.718 ' HA ' HD12 ' A' ' 43' ' ' ILE . 63.1 mt -59.97 -37.5 79.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 74.400000000000006 110.939 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -69.57 -31.49 69.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 51.5 110.86 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.28 -31.35 60.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 51.100000000000001 111.126 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.788 HD11 HG21 ' A' ' 56' ' ' ILE . 6.0 mt -76.27 -45.26 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 74.5 111.061 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -60.24 -42.79 96.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 75.200000000000003 110.912 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -71.9 -56.68 5.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 72.099999999999994 110.898 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -137.16 179.03 6.63 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.233 -0.439 . . . . 71.5 111.111 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.17 179.41 1.55 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.403 -0.362 . . . . 63.200000000000003 110.976 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -106.63 -67.55 0.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.843 -0.617 . . . . 72.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -152.81 174.65 13.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 71.200000000000003 111.202 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -60.0 -43.17 95.37 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.469 -0.332 . . . . 72.400000000000006 110.945 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.6 tttm -60.65 -50.93 71.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.302 -0.408 . . . . 75.400000000000006 110.959 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.11 -44.0 96.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 41.100000000000001 111.279 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.438 ' HA ' HD12 ' A' ' 56' ' ' ILE . 3.8 mtmp? -60.18 -33.13 71.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.881 -0.6 . . . . 73.299999999999997 110.821 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -70.72 -36.69 73.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.02 0.438 . . . . 64.200000000000003 110.919 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.65 -31.6 72.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.022 -0.536 . . . . 70.200000000000003 110.733 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.788 HG21 HD11 ' A' ' 43' ' ' ILE . 22.9 mt -74.87 -37.13 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.141 -0.481 . . . . 75.5 110.973 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.637 ' O ' HG23 ' A' ' 61' ' ' VAL . 4.7 mpt_? -61.52 -56.33 21.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 64.099999999999994 110.807 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.89 -39.94 75.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 71.200000000000003 111.069 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -66.15 -31.43 72.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 64.400000000000006 110.785 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.427 ' O ' HD12 ' A' ' 64' ' ' LEU . 68.0 m -76.33 -46.97 25.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 63.0 110.915 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.728 HG22 ' HB3' ' B' ' 118' ' ' LEU . 21.6 t -58.87 -42.47 85.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 71.200000000000003 111.088 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -67.35 -35.66 79.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 63.100000000000001 110.875 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.494 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 2.4 m-85 -67.89 -40.44 83.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 62.200000000000003 110.892 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 60' ' ' CYS . 2.6 mp -60.35 -40.54 91.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 62.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.18 -51.53 69.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 73.400000000000006 110.863 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -65.13 -35.47 81.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 75.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.642 ' O ' HD23 ' A' ' 29' ' ' LEU . . . -59.31 -53.27 60.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 63.0 111.098 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -59.66 -31.16 69.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 54.5 110.902 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -66.36 -32.52 73.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 70.200000000000003 110.889 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.623 HD22 ' CD1' ' A' ' 25' ' ' TYR . 77.9 mt -73.19 -49.22 29.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 70.400000000000006 110.845 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.78 -31.37 69.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 73.400000000000006 110.904 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -82.87 -30.92 28.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 72.200000000000003 110.868 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.499 ' CE2' ' CE2' ' A' ' 25' ' ' TYR . 75.2 t80 -60.02 -36.84 78.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 73.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.5 mt -83.53 -40.08 19.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.338 -0.392 . . . . 72.099999999999994 110.919 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 116.26 -0.427 . . . . 73.400000000000006 110.76 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . 0.63 ' HA ' HD21 ' B' ' 118' ' ' LEU . 2.0 tm-20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.808 0.337 . . . . 72.099999999999994 110.927 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -69.96 -29.88 67.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 53.399999999999999 110.975 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -59.07 -60.4 3.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 64.400000000000006 110.978 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.728 ' HB3' HG22 ' A' ' 61' ' ' VAL . 0.9 OUTLIER -70.53 -30.29 67.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 71.5 110.947 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 37.9 m -66.24 -37.37 85.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 54.5 110.908 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 12.3 ttt85 -69.26 -43.46 73.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 72.200000000000003 110.941 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -65.5 -35.23 80.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 73.099999999999994 110.882 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.491 HD13 ' CD1' ' A' ' 40' ' ' LEU . 2.4 tt -60.24 -49.13 78.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 74.200000000000003 110.918 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.14 -37.36 79.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 43.200000000000003 111.129 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.74 -31.39 69.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 63.200000000000003 111.089 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.454 HD23 ' CD ' ' A' ' 33' ' ' GLN . 1.3 tp -61.09 -53.8 52.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 73.200000000000003 110.863 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -40.45 73.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 75.400000000000006 110.916 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 29.7 t30 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.238 -0.887 . . . . 75.0 110.895 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.784 0.326 . . . . 74.200000000000003 110.89 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.17 -50.23 64.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 70.5 110.949 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -60.54 -41.82 95.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 73.099999999999994 110.791 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -69.67 -33.28 72.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 75.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.435 ' HB1' ' CE1' ' A' ' 39' ' ' PHE . . . -60.13 -51.03 71.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 64.299999999999997 111.098 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.5 mt -66.16 -48.02 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 65.099999999999994 111.066 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.42 -31.36 69.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 74.099999999999994 110.891 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.619 HD22 ' CB ' ' A' ' 34' ' ' HIS . 13.7 mt -71.55 -52.34 18.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 71.400000000000006 110.885 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.43 HG21 ' CE2' ' A' ' 63' ' ' TYR . 11.6 p -65.15 -34.19 68.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 42.100000000000001 111.092 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.5 m -59.8 -50.49 73.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 74.400000000000006 110.856 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.71 ' HB3' HD13 ' A' ' 31' ' ' LEU . 3.4 mmmt -60.06 -35.38 75.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 70.400000000000006 110.856 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.473 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -65.01 -39.9 94.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 71.299999999999997 111.096 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -41.2 93.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 61.299999999999997 110.736 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -63.63 -35.67 81.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.026 0.441 . . . . 74.099999999999994 110.898 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -76.24 -43.89 40.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.94 -0.573 . . . . 64.200000000000003 110.816 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.515 ' OD1' HD11 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -61.92 -31.18 71.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.303 -0.408 . . . . 71.0 111.175 179.675 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.0 -21.24 27.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 63.399999999999999 111.348 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.18 28.59 3.15 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.976 -0.556 . . . . 65.400000000000006 111.394 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.9 mttt 58.78 39.17 24.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 74.099999999999994 110.812 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -126.04 77.97 1.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.031 0.443 . . . . 74.200000000000003 110.864 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.448 ' CD1' HD22 ' A' ' 70' ' ' LEU . 20.2 m-85 -73.32 -31.45 64.01 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.951 -0.568 . . . . 73.299999999999997 110.863 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' N ' HD11 ' A' ' 74' ' ' LEU . 5.0 tt0 -62.11 -60.06 4.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.452 -0.34 . . . . 72.5 110.94 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -36.03 82.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 74.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.53 -40.72 88.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 34.5 111.147 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.703 ' CD2' ' HB1' ' A' ' 67' ' ' ALA . 3.1 tm? -64.85 -39.3 93.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 74.5 110.92 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -60.05 -54.55 44.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 74.400000000000006 110.852 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.71 HD13 ' HB3' ' A' ' 15' ' ' LYS . 9.1 mt -67.96 -32.09 72.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 74.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.612 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.6 m-85 -64.29 -44.18 92.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 62.5 110.872 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.667 ' HG2' HD23 ' B' ' 125' ' ' LEU . 10.9 mt-30 -60.16 -49.3 78.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 75.099999999999994 110.894 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.619 ' CB ' HD22 ' A' ' 12' ' ' LEU . 69.6 m-70 -60.16 -41.73 93.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 73.400000000000006 110.889 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.537 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -60.02 -51.66 68.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 63.0 111.089 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 32' ' ' TYR . 28.4 t -63.23 -41.07 91.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 55.399999999999999 111.09 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -60.91 -48.86 79.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 75.099999999999994 110.921 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -60.05 -31.47 70.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 62.200000000000003 110.887 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.435 ' CE1' ' HB1' ' A' ' 9' ' ' ALA . 2.8 m-85 -68.74 -51.21 43.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 61.399999999999999 110.923 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.449 HD11 HD12 ' B' ' 122' ' ' LEU . 22.5 mt -60.26 -32.01 70.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 72.400000000000006 110.879 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.402 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 11.5 m80 -72.23 -31.58 65.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 75.200000000000003 110.853 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.78 -30.51 67.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 73.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.4 mt -76.14 -48.69 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 74.400000000000006 111.109 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.27 -47.1 87.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 70.200000000000003 110.956 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.402 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 19.2 m-85 -68.5 -74.16 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 72.299999999999997 110.895 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -131.3 101.06 5.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 70.099999999999994 110.928 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.53 144.65 25.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 41.399999999999999 111.069 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.441 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 1.1 t-80 -61.77 -68.15 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.401 -0.363 . . . . 71.0 110.666 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.4 m -164.34 -175.98 4.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.36 -0.382 . . . . 73.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -62.57 -51.22 68.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.967 -0.56 . . . . 74.299999999999997 110.782 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -60.2 -49.95 75.59 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.858 0.361 . . . . 73.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.441 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -60.13 -36.86 78.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 45.299999999999997 110.997 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt -60.64 -31.72 70.91 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.157 -0.474 . . . . 72.200000000000003 110.801 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -72.12 -41.98 66.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.317 -0.401 . . . . 71.200000000000003 110.924 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.5 m -60.15 -44.91 94.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 42.399999999999999 110.937 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 30.1 mt -72.0 -31.29 39.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.986 -0.552 . . . . 64.299999999999997 111.004 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.883 ' O ' HG23 ' A' ' 61' ' ' VAL . 11.4 mtp180 -65.54 -52.7 50.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 75.299999999999997 110.879 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.87 -37.83 77.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 65.200000000000003 111.105 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -70.31 -32.9 70.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 73.099999999999994 110.919 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 98.3 m -79.26 -45.26 20.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 74.200000000000003 110.93 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.883 HG23 ' O ' ' A' ' 57' ' ' ARG . 27.3 t -59.25 -38.77 76.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 63.299999999999997 111.075 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.34 -39.27 65.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 75.099999999999994 110.884 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.43 ' CE2' HG21 ' A' ' 13' ' ' VAL . 2.4 m-85 -69.4 -33.02 72.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 75.200000000000003 110.867 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.8 HD13 ' HB2' ' B' ' 118' ' ' LEU . 0.6 OUTLIER -67.27 -41.46 85.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 74.200000000000003 110.896 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -60.28 -48.82 80.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 61.299999999999997 110.87 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.3 mmm-85 -59.54 -43.9 93.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 75.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.703 ' HB1' ' CD2' ' A' ' 29' ' ' LEU . . . -55.95 -45.87 78.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 70.099999999999994 111.15 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -57.99 -36.08 72.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 54.100000000000001 110.749 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.3 tttp -77.51 -29.17 52.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.086 -0.506 . . . . 74.299999999999997 111.075 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.515 HD11 ' OD1' ' A' ' 20' ' ' ASP . 30.6 mt -63.53 -52.16 62.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.319 -0.4 . . . . 71.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -32.9 73.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 72.0 110.812 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -74.38 -30.37 61.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 73.099999999999994 110.946 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -64.93 -52.63 55.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 72.099999999999994 110.89 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.446 HD11 ' N ' ' A' ' 26' ' ' GLU . 2.5 mt -59.02 -56.48 21.67 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.164 -0.471 . . . . 63.5 111.065 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.7 ptt180 . . . . . 0 C--N 1.321 -0.664 0 CA-C-N 116.371 -0.377 . . . . 74.299999999999997 110.993 -179.924 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . 0.609 ' HA ' HD21 ' B' ' 118' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.766 0.317 . . . . 54.200000000000003 110.883 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -69.91 -29.88 67.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 63.100000000000001 111.027 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -59.17 -60.4 3.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 65.5 111.005 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.8 ' HB2' HD13 ' A' ' 64' ' ' LEU . 1.0 OUTLIER -72.19 -29.49 64.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 73.400000000000006 110.93 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 34.2 t -60.17 -39.24 85.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.404 . . . . 61.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 11.5 mtt85 -76.1 -38.7 56.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 71.400000000000006 110.907 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -63.17 -34.38 77.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 73.200000000000003 110.903 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.549 ' HB2' HD11 ' A' ' 64' ' ' LEU . 1.2 tt -72.59 -41.23 65.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 53.200000000000003 110.919 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.22 -34.16 73.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 61.299999999999997 111.066 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -85.01 -31.21 23.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 43.399999999999999 111.071 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.667 HD23 ' HG2' ' A' ' 33' ' ' GLN . 10.3 tp -60.55 -50.49 73.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 65.299999999999997 110.898 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.73 146.13 46.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 51.299999999999997 110.945 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 5.8 t30 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.218 -0.896 . . . . 71.400000000000006 110.897 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.2 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.832 0.348 . . . . 71.5 110.868 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.403 ' O ' HD12 ' A' ' 10' ' ' ILE . 4.0 mm? -62.18 -49.67 74.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 73.5 111.013 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -60.61 -30.68 69.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.257 -0.429 . . . . 52.399999999999999 111.261 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.1 -42.13 19.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.024 -0.535 . . . . 71.0 110.798 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.477 ' HB2' ' HB3' ' A' ' 38' ' ' TYR . . . -59.57 -30.55 68.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 64.299999999999997 111.1 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.403 HD12 ' O ' ' A' ' 6' ' ' LEU . 6.9 mt -80.28 -45.62 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 71.099999999999994 111.089 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -59.88 -31.13 69.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 72.5 110.966 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.692 HD13 HD23 ' A' ' 31' ' ' LEU . 3.5 mm? -74.41 -55.92 5.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 75.299999999999997 110.964 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.752 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 12.6 p -59.15 -38.61 75.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 70.099999999999994 111.132 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.5 m -59.52 -50.26 74.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 63.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.663 ' HB3' HD13 ' A' ' 31' ' ' LEU . 5.5 mmtt -61.65 -31.59 71.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 73.099999999999994 110.836 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.447 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -69.75 -39.31 76.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 51.299999999999997 111.098 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.24 -44.42 95.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 61.299999999999997 110.827 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -63.27 -40.97 98.88 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.478 -0.328 . . . . 73.099999999999994 110.638 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -59.21 -51.46 69.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.895 0.378 . . . . 75.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -57.43 -29.57 64.27 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.967 -0.561 . . . . 75.5 111.186 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -82.05 -26.31 33.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 71.200000000000003 111.044 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.26 29.48 3.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.371 -0.377 . . . . 65.0 111.088 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.7 mttm 58.64 36.06 24.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.096 0.474 . . . . 64.299999999999997 110.909 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -118.42 78.76 1.29 Allowed 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 120.96 0.41 . . . . 71.5 110.881 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.498 ' CE2' ' CE1' ' A' ' 73' ' ' TYR . 23.3 m-85 -76.3 -38.54 55.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.937 -0.574 . . . . 70.5 110.824 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.577 ' CA ' HD11 ' A' ' 74' ' ' LEU . 16.8 pt-20 -61.53 -38.23 86.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.839 0.352 . . . . 73.0 110.836 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.02 -37.29 24.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 71.099999999999994 110.906 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.758 ' HB3' HD23 ' A' ' 70' ' ' LEU . . . -59.75 -47.08 87.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 73.0 111.098 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 29' ' ' LEU . 1.6 tt -60.37 -39.36 86.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 60.399999999999999 110.906 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -60.09 -58.87 6.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 74.400000000000006 110.943 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.692 HD23 HD13 ' A' ' 12' ' ' LEU . 7.5 mt -62.19 -31.53 72.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 72.5 110.91 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.485 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.6 m-85 -66.6 -40.16 88.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 73.400000000000006 110.913 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -60.24 -55.38 34.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 62.399999999999999 110.914 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.445 ' CD2' ' CE2' ' A' ' 38' ' ' TYR . 0.8 OUTLIER -60.24 -33.48 72.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 63.299999999999997 110.934 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.8 -55.42 34.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 64.400000000000006 111.086 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.5 t -59.87 -34.91 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 72.099999999999994 111.113 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -60.25 -52.49 65.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 74.099999999999994 110.917 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.477 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 9.9 m-85 -60.49 -35.82 76.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 65.299999999999997 110.895 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -66.82 -39.84 87.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 75.400000000000006 110.86 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.902 ' HA ' HD12 ' A' ' 43' ' ' ILE . 61.5 mt -60.32 -36.97 79.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 61.100000000000001 110.888 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.31 -31.47 67.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 54.100000000000001 110.955 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.82 -31.04 67.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 71.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.902 HD12 ' HA ' ' A' ' 40' ' ' LEU . 6.9 mt -72.12 -50.78 34.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 64.099999999999994 111.063 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -39.14 87.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 75.400000000000006 110.922 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -94.22 -74.61 0.53 Allowed 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.211 -0.45 . . . . 75.099999999999994 110.807 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.98 -169.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 70.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 61.09 157.94 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.206 -0.452 . . . . 54.100000000000001 111.157 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 51.3 m80 -144.56 -74.74 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.951 0.405 . . . . 72.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.3 p -62.07 153.42 29.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.032 -0.531 . . . . 73.299999999999997 110.968 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -59.79 -32.63 70.79 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.268 0.556 . . . . 63.100000000000001 111.226 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.21 -32.93 71.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.992 -0.549 . . . . 72.200000000000003 110.882 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.42 ' O ' HD12 ' A' ' 56' ' ' ILE . . . -77.41 -37.7 51.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 43.200000000000003 111.034 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.57 ' HG2' HG23 ' A' ' 43' ' ' ILE . 7.4 mtmt -75.72 -31.6 59.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 62.100000000000001 110.914 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -66.66 -49.46 66.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.297 -0.411 . . . . 73.099999999999994 110.855 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.32 -44.51 95.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 73.5 110.772 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.42 HD12 ' O ' ' A' ' 52' ' ' ALA . 18.0 mt -71.83 -42.21 69.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.085 -0.507 . . . . 70.299999999999997 111.044 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.708 ' O ' HG23 ' A' ' 61' ' ' VAL . 34.4 ttm180 -60.39 -54.45 45.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.316 -0.402 . . . . 71.200000000000003 110.874 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.85 -35.75 66.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 32.399999999999999 110.95 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 42.7 mttt -73.55 -31.52 63.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.061 -0.518 . . . . 53.299999999999997 110.69 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 92.0 m -74.79 -37.68 62.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 71.400000000000006 110.829 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 57' ' ' ARG . 30.0 t -62.46 -44.29 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 72.0 110.988 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -67.29 -34.04 76.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 72.299999999999997 110.876 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.752 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 4.8 m-85 -64.22 -37.85 88.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 73.0 110.851 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.59 HD21 ' CG ' ' B' ' 122' ' ' LEU . 11.5 mt -67.64 -38.65 84.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 74.400000000000006 110.826 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.14 -38.32 82.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 52.0 110.848 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -71.12 -31.58 67.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 75.099999999999994 110.931 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.509 ' HB1' HD21 ' B' ' 125' ' ' LEU . . . -61.52 -58.02 9.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 75.099999999999994 111.124 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.06 -31.87 70.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 73.5 110.911 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 tpmt? -60.73 -52.83 63.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 73.099999999999994 110.895 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.758 HD23 ' HB3' ' A' ' 28' ' ' ALA . 8.8 mp -62.48 -33.85 75.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 72.400000000000006 110.859 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.574 ' HB2' HD11 ' A' ' 29' ' ' LEU . 3.1 tttp -62.31 -47.98 81.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 72.400000000000006 110.863 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -61.3 -31.44 71.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 72.299999999999997 110.853 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.498 ' CE1' ' CE2' ' A' ' 25' ' ' TYR . 38.7 t80 -62.59 -44.13 97.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.044 -0.525 . . . . 72.099999999999994 111.04 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.577 HD11 ' CA ' ' A' ' 26' ' ' GLU . 4.3 mt -75.44 -47.91 25.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 63.5 110.85 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 120.975 0.417 . . . . 74.099999999999994 111.098 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . 0.607 ' HA ' HD21 ' B' ' 118' ' ' LEU . 2.8 mt-10 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.858 0.361 . . . . 71.200000000000003 110.944 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -71.52 -29.75 65.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 72.5 110.944 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -58.71 -60.4 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 71.400000000000006 111.008 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.607 HD21 ' HA ' ' B' ' 115' ' ' GLU . 1.1 pt? -71.5 -29.51 64.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 70.200000000000003 110.963 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 42.6 t -63.51 -37.36 87.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 71.099999999999994 110.868 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -44.16 62.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 74.400000000000006 110.938 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -60.4 -31.84 70.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 72.400000000000006 110.894 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.776 HD13 HD11 ' A' ' 40' ' ' LEU . 2.4 tt -73.81 -36.64 65.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 71.200000000000003 110.896 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.51 -42.77 99.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 75.0 111.11 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -70.47 -31.55 68.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 64.5 111.116 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.509 HD21 ' HB1' ' A' ' 67' ' ' ALA . 3.8 tp -60.44 -49.13 78.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 72.200000000000003 110.893 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 18.2 mtm180 -60.94 118.36 6.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 70.400000000000006 110.866 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 7.9 p30 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.184 -0.912 . . . . 54.399999999999999 110.852 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 120.811 0.339 . . . . 72.099999999999994 110.844 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.79 -43.32 99.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 73.299999999999997 110.916 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -36.03 77.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 74.299999999999997 111.045 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -79.08 -31.62 44.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 71.099999999999994 110.872 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.86 -39.22 93.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 54.100000000000001 111.069 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.4 mt -78.2 -45.5 26.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 64.5 111.122 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -59.13 -31.59 69.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 73.5 110.916 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.785 HD22 ' HB3' ' A' ' 34' ' ' HIS . 21.4 mt -72.14 -55.95 6.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 70.400000000000006 110.846 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.479 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 11.9 p -60.1 -35.05 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 71.5 111.017 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.0 m -59.96 -47.95 83.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 75.099999999999994 110.823 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -61.2 -31.83 71.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 72.099999999999994 110.859 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.593 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -69.2 -39.19 78.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 64.200000000000003 111.092 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.38 -47.27 86.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 72.200000000000003 110.757 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -60.19 -38.24 82.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 72.299999999999997 110.753 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.42 -50.15 48.48 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.923 0.392 . . . . 71.5 110.811 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -57.9 -33.68 69.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.996 -0.547 . . . . 52.0 110.94 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -88.08 -26.27 22.61 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 116.109 -0.496 . . . . 74.099999999999994 110.945 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.37 30.44 2.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.733 0.301 . . . . 51.299999999999997 111.165 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt 59.15 70.31 0.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.305 0.574 . . . . 54.399999999999999 111.061 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -158.7 73.46 0.63 Allowed 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.085 -0.507 . . . . 72.299999999999997 110.689 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -71.66 -36.2 70.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.845 0.355 . . . . 75.299999999999997 110.879 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.436 ' HB3' HD13 ' A' ' 74' ' ' LEU . 3.3 pt-20 -68.25 -36.45 79.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.97 -0.559 . . . . 65.099999999999994 110.845 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -83.05 -31.18 27.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 74.299999999999997 110.933 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.0 -30.7 68.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 63.100000000000001 111.142 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.537 HD21 ' HB1' ' A' ' 67' ' ' ALA . 2.9 tm? -70.12 -47.81 60.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 73.400000000000006 110.891 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -59.54 -37.02 77.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 74.200000000000003 110.919 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.593 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 3.4 mm? -76.01 -31.76 59.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 61.200000000000003 110.884 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.835 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.9 m-85 -72.65 -42.84 63.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 75.299999999999997 110.91 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -60.29 -51.55 69.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 74.5 110.885 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.785 ' HB3' HD22 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -62.07 -31.57 72.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 72.400000000000006 110.932 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.418 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -74.58 -49.92 19.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 73.0 111.082 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.835 HG23 ' O ' ' A' ' 32' ' ' TYR . 28.6 t -62.65 -39.43 84.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 73.299999999999997 111.059 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.25 -53.09 61.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 73.200000000000003 110.927 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -60.74 -31.55 70.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 75.200000000000003 110.907 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -63.69 -51.97 62.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 75.400000000000006 110.854 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.475 HD11 HD12 ' B' ' 122' ' ' LEU . 62.2 mt -60.04 -31.4 69.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 71.099999999999994 110.907 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -71.9 -31.11 66.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 73.400000000000006 110.869 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.09 -30.64 63.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 64.400000000000006 111.181 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.484 HD11 HG22 ' A' ' 56' ' ' ILE . 22.3 mt -76.61 -46.95 30.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 61.100000000000001 111.127 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -60.17 -44.84 94.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 74.099999999999994 110.911 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -67.17 -43.98 80.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 63.399999999999999 110.893 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -153.45 166.79 31.59 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.188 -0.46 . . . . 64.5 111.211 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.459 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -162.78 137.39 6.53 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.881 0.372 . . . . 75.200000000000003 111.379 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -60.6 -54.27 47.41 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 116.15 -0.477 . . . . 73.200000000000003 110.568 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -172.24 -177.26 1.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.884 0.373 . . . . 64.400000000000006 110.915 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -61.2 -51.35 69.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.951 -0.568 . . . . 73.200000000000003 110.645 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -60.61 -45.16 95.03 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.826 0.346 . . . . 75.400000000000006 111.045 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.68 -37.32 87.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 74.200000000000003 111.07 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.459 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 15.1 mtmt -63.83 -31.71 72.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.922 -0.581 . . . . 73.099999999999994 110.973 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.33 -44.68 71.15 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 115.914 -0.584 . . . . 74.099999999999994 110.942 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.58 -40.64 92.46 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.972 -0.558 . . . . 71.299999999999997 110.902 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.484 HG22 HD11 ' A' ' 43' ' ' ILE . 19.9 mt -71.36 -41.34 73.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 74.099999999999994 111.033 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.672 ' O ' HG23 ' A' ' 61' ' ' VAL . 35.3 ttm180 -69.08 -46.73 67.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 74.5 110.844 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.14 -36.28 68.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 65.5 111.032 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.4 mttt -72.45 -30.39 64.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.029 -0.532 . . . . 71.299999999999997 110.773 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 79.5 m -74.63 -37.08 62.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 62.5 110.846 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.81 HG22 HD22 ' B' ' 118' ' ' LEU . 21.6 t -61.85 -51.08 76.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 71.299999999999997 111.089 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -63.17 -33.52 75.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 75.200000000000003 110.894 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.479 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 2.5 m-85 -67.83 -32.36 72.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 75.299999999999997 110.877 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.5 -46.7 75.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 54.399999999999999 110.838 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.51 -35.13 75.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 65.099999999999994 110.911 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -71.06 -39.06 72.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 74.400000000000006 110.91 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.597 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -59.97 -57.86 11.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 111.058 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.489 ' HB3' HD12 ' B' ' 125' ' ' LEU . 0.5 OUTLIER -57.84 -30.71 65.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 73.0 110.955 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -69.99 -30.72 68.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 63.399999999999999 110.953 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 67' ' ' ALA . 7.4 mt -75.81 -49.44 18.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 74.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -61.25 -31.69 71.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 65.400000000000006 110.88 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -78.29 -31.6 49.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 72.200000000000003 110.878 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -60.36 -43.91 96.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.948 -0.569 . . . . 70.400000000000006 110.822 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.436 HD13 ' HB3' ' A' ' 26' ' ' GLU . 7.5 mt -78.28 -40.46 36.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.084 -0.507 . . . . 74.200000000000003 110.808 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.183 -0.462 . . . . 34.399999999999999 110.841 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.857 0.361 . . . . 65.0 110.947 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -80.03 -25.45 40.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 73.299999999999997 111.118 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.61 -60.37 3.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.376 -0.374 . . . . 64.5 111.06 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.81 HD22 HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -72.98 -31.05 64.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 72.299999999999997 110.984 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 42.6 t -61.74 -39.94 93.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 52.5 110.919 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.84 -46.33 62.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 62.5 110.92 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 14.4 mtp180 -60.91 -37.59 82.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 71.400000000000006 110.918 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.475 HD12 HD11 ' A' ' 40' ' ' LEU . 1.6 tt -60.35 -49.38 77.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 54.200000000000003 110.885 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.95 -31.23 69.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 72.200000000000003 111.079 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -81.31 -35.7 30.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 52.399999999999999 111.117 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.489 HD12 ' HB3' ' A' ' 68' ' ' GLU . 9.8 tt -60.39 -43.94 96.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 71.200000000000003 110.88 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 44.5 ptt85 -89.38 154.29 20.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 72.200000000000003 110.935 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 6.4 m120 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.248 -0.882 . . . . 74.099999999999994 110.877 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.86 0.362 . . . . 72.400000000000006 110.84 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.472 ' CD1' HD11 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -60.5 -46.1 91.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 63.299999999999997 110.876 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -59.73 -32.64 70.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 71.299999999999997 111.127 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -81.34 -31.47 33.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.069 -0.514 . . . . 73.299999999999997 111.366 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.855 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -64.0 -43.54 95.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.047 -0.524 . . . . 61.399999999999999 111.076 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.472 HD11 ' CD1' ' A' ' 6' ' ' LEU . 22.5 mt -75.12 -37.86 41.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 64.400000000000006 111.069 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.27 -41.8 94.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 74.299999999999997 111.258 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.8 mt -66.85 -43.14 84.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 71.200000000000003 110.87 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 9' ' ' ALA . 32.3 t -61.73 -43.89 97.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 72.200000000000003 111.098 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.5 m -57.35 -39.97 77.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 35.100000000000001 110.989 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.552 ' HB3' HD13 ' A' ' 31' ' ' LEU . 24.0 mttt -70.96 -28.41 64.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 63.399999999999999 110.996 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.496 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -77.89 -38.2 46.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 64.400000000000006 111.099 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -49.55 77.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 74.400000000000006 110.731 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.69 -31.54 70.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 71.099999999999994 110.742 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.47 -61.46 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.947 0.403 . . . . 71.400000000000006 110.796 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.618 ' OD2' HD21 ' A' ' 70' ' ' LEU . 11.5 t0 -57.87 -30.45 65.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.966 -0.561 . . . . 75.400000000000006 111.045 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -68.72 -29.71 68.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.872 0.368 . . . . 73.0 110.962 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.13 30.79 2.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.042 -0.526 . . . . 73.0 111.07 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.5 mttm 59.29 70.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.204 0.526 . . . . 74.5 110.932 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -156.02 73.49 0.82 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.139 -0.482 . . . . 75.400000000000006 110.955 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.465 ' HB3' HD22 ' A' ' 70' ' ' LEU . 9.5 m-85 -69.08 -31.17 69.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.838 -0.619 . . . . 74.200000000000003 110.917 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -57.42 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.389 -0.369 . . . . 72.200000000000003 110.875 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -61.24 -40.9 95.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 54.399999999999999 110.919 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.41 90.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 75.400000000000006 111.094 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.78 ' O ' HD13 ' A' ' 29' ' ' LEU . 2.4 tm? -60.45 -33.82 73.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 71.200000000000003 110.86 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -65.05 -58.74 5.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 73.200000000000003 110.885 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.552 HD13 ' HB3' ' A' ' 15' ' ' LYS . 5.6 mt -62.85 -33.3 74.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 72.299999999999997 110.895 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.496 ' CD2' ' HB1' ' A' ' 16' ' ' ALA . 2.3 m-85 -64.01 -41.44 97.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 74.200000000000003 110.927 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -60.1 -51.59 68.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 63.399999999999999 110.93 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -60.05 -38.07 81.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 73.299999999999997 110.902 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.418 ' HB1' HG22 ' A' ' 13' ' ' VAL . . . -59.83 -59.6 5.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 75.400000000000006 111.093 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.5 t -59.66 -37.4 70.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 65.0 111.16 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -60.17 -38.5 83.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 63.5 110.891 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -75.49 -31.46 60.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 63.200000000000003 110.894 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.473 ' O ' HD12 ' A' ' 43' ' ' ILE . 5.1 m-85 -65.04 -49.58 69.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 73.400000000000006 110.841 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.453 ' CD1' HD13 ' B' ' 122' ' ' LEU . 69.2 mt -60.36 -48.1 83.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.425 . . . . 64.400000000000006 110.862 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -60.22 -31.53 70.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 61.399999999999999 110.912 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.44 -53.47 8.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 72.400000000000006 111.092 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.566 HD11 ' CG2' ' A' ' 56' ' ' ILE . 4.6 mt -64.46 -34.07 67.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 64.299999999999997 111.068 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -72.56 -36.56 68.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 72.400000000000006 110.917 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -81.75 -31.75 31.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 72.099999999999994 110.911 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -160.28 142.07 12.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 70.400000000000006 110.683 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -147.2 151.61 37.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.009 -0.541 . . . . 75.099999999999994 111.184 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -70.2 -61.63 1.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 70.200000000000003 110.777 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.6 m -156.2 178.82 9.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.368 -0.378 . . . . 33.5 110.934 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.48 -48.94 79.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 73.099999999999994 110.989 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.5 tptt -60.38 -48.89 79.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.202 -0.454 . . . . 52.5 110.822 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.596 ' O ' HD12 ' A' ' 56' ' ' ILE . . . -61.08 -34.72 75.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.326 -0.397 . . . . 43.200000000000003 110.8 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -65.43 -31.95 73.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.953 -0.567 . . . . 74.200000000000003 110.718 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -72.6 -43.2 63.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.105 0.479 . . . . 75.200000000000003 110.929 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.3 m -60.44 -52.2 66.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.026 -0.534 . . . . 71.5 110.872 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.596 HD12 ' O ' ' A' ' 52' ' ' ALA . 4.5 mt -62.09 -49.51 83.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.096 -0.502 . . . . 62.0 111.069 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.672 ' O ' HG23 ' A' ' 61' ' ' VAL . 7.4 ttp180 -60.37 -41.51 93.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 75.5 110.869 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.58 -35.3 68.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 74.299999999999997 111.02 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 16.8 mttt -72.63 -31.32 65.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 74.299999999999997 110.745 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 64.0 m -73.8 -37.67 64.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 73.5 110.875 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.787 HG22 HD22 ' B' ' 118' ' ' LEU . 18.8 t -61.42 -50.8 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 63.299999999999997 111.077 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -64.07 -31.36 72.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 64.200000000000003 110.866 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 59' ' ' LYS . 2.2 m-85 -69.28 -31.74 70.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 75.200000000000003 110.925 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.4 mt -69.74 -40.82 75.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 72.400000000000006 110.905 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -60.12 -49.76 76.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 64.099999999999994 110.933 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -65.08 -34.44 78.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 74.200000000000003 110.879 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.599 ' HB1' HD21 ' A' ' 29' ' ' LEU . . . -60.61 -52.97 62.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 73.5 111.163 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -59.56 -31.12 69.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 71.200000000000003 110.929 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.12 -31.56 69.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 60.0 110.93 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.763 ' O ' HD12 ' A' ' 74' ' ' LEU . 48.9 mt -73.17 -55.02 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 72.299999999999997 110.899 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.9 tttm -58.06 -31.62 67.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 63.399999999999999 110.91 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -75.13 -30.41 60.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 75.099999999999994 110.862 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -61.94 -57.3 12.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.926 -0.579 . . . . 74.200000000000003 110.882 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.763 HD12 ' O ' ' A' ' 70' ' ' LEU . 1.7 mp -68.67 -30.7 69.44 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.1 -0.5 . . . . 72.200000000000003 110.643 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.5 ttt85 . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 116.472 -0.331 . . . . 75.0 110.944 179.833 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . 0.419 ' HA ' HD21 ' B' ' 118' ' ' LEU . 2.1 tt0 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.875 0.369 . . . . 63.399999999999999 110.951 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -76.52 -43.36 39.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 70.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -57.22 13.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 55.399999999999999 110.887 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.787 HD22 HG22 ' A' ' 61' ' ' VAL . 3.8 pp -60.06 -37.26 79.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 73.5 110.901 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 11.1 t -64.73 -37.68 88.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 65.299999999999997 110.895 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.57 -43.46 97.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 72.299999999999997 110.859 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -63.16 -35.13 79.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 71.299999999999997 110.898 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.453 HD13 ' CD1' ' A' ' 40' ' ' LEU . 8.8 tt -63.0 -46.31 88.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 71.099999999999994 110.9 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.02 -48.77 80.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 34.5 111.12 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.32 -31.3 70.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 62.200000000000003 111.095 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 6.8 tp -65.52 -44.75 85.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 70.299999999999997 110.917 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 12.2 mtm105 -81.06 115.42 20.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 73.5 110.899 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 53.3 t30 . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.257 -0.878 . . . . 51.100000000000001 110.929 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.875 0.369 . . . . 62.399999999999999 110.962 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.32 -47.11 80.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 70.099999999999994 110.911 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -60.78 -47.61 85.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.272 -0.422 . . . . 73.400000000000006 110.951 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -62.52 -31.84 72.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 74.099999999999994 111.1 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.772 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -65.66 -51.58 58.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 65.299999999999997 111.117 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 mt -62.59 -39.02 83.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.46 . . . . 61.399999999999999 111.072 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -59.73 -44.43 93.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 61.100000000000001 110.862 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.0 mt -66.49 -39.81 88.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 74.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 9' ' ' ALA . 32.6 t -65.94 -38.7 82.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 71.400000000000006 111.084 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.0 m -57.08 -52.96 63.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 72.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.3 mttp -62.6 -27.15 69.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 64.400000000000006 110.974 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.448 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -76.15 -37.87 57.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.405 . . . . 64.099999999999994 111.071 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.416 HG22 ' NZ ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -60.26 -42.8 96.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 52.399999999999999 110.695 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -67.69 -41.17 84.05 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 116.439 -0.346 . . . . 60.200000000000003 110.598 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.446 ' HB3' ' HB2' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -59.04 -53.94 52.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.571 -0.286 . . . . 60.299999999999997 110.909 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -58.06 -29.68 65.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.493 -0.321 . . . . 54.5 111.012 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.416 ' NZ ' HG22 ' A' ' 17' ' ' THR . 16.8 mttt -83.76 -25.4 30.54 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.446 -0.343 . . . . 44.299999999999997 111.024 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.72 28.77 3.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.331 -0.395 . . . . 71.400000000000006 111.308 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.0 mttm 58.91 38.01 24.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.331 -0.395 . . . . 71.400000000000006 111.034 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -121.24 77.73 1.35 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 60.200000000000003 110.877 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.432 ' HA ' HD23 ' A' ' 70' ' ' LEU . 32.7 m-85 -74.38 -31.99 62.58 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.19 -0.459 . . . . 72.299999999999997 110.931 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -62.54 -60.0 4.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.358 . . . . 65.400000000000006 110.893 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -64.58 -36.68 85.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 71.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.446 ' HB2' ' HB3' ' A' ' 19' ' ' GLU . . . -59.54 -48.8 80.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 74.299999999999997 111.142 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.661 ' O ' HD13 ' A' ' 29' ' ' LEU . 2.8 tm? -60.08 -40.98 91.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 64.200000000000003 110.872 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -60.03 -60.35 3.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 72.400000000000006 110.904 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.0 mt -61.16 -31.37 71.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 71.299999999999997 110.925 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.472 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.3 m-85 -66.71 -40.13 88.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 73.5 110.864 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -60.04 -54.53 44.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 73.200000000000003 110.936 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -60.37 -33.96 73.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 71.299999999999997 110.868 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.472 ' HB1' HG22 ' A' ' 13' ' ' VAL . . . -63.12 -55.77 22.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 65.0 111.103 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 32' ' ' TYR . 28.4 t -63.26 -36.68 77.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 74.299999999999997 111.04 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -60.03 -37.93 81.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 72.099999999999994 110.904 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -74.17 -33.76 63.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 72.299999999999997 110.84 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -62.19 -52.63 63.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 74.400000000000006 110.869 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.486 ' HA ' HD12 ' A' ' 43' ' ' ILE . 52.5 mt -59.67 -41.05 89.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.200000000000003 110.859 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.49 -31.47 70.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 61.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.57 -31.34 63.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 71.099999999999994 111.088 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.486 HD12 ' HA ' ' A' ' 40' ' ' LEU . 22.7 mt -75.54 -49.1 28.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 65.5 111.151 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -62.32 -31.59 72.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 52.5 110.887 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -81.45 -74.54 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 74.400000000000006 110.887 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -134.38 114.66 13.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.913 -0.585 . . . . 73.099999999999994 110.819 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.57 -175.41 2.79 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.124 0.488 . . . . 51.399999999999999 111.258 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -106.35 -65.94 1.04 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.858 0.361 . . . . 64.400000000000006 110.908 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 m -162.76 -177.61 5.64 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.062 -0.517 . . . . 63.5 111.117 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -61.96 -50.64 71.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.997 0.427 . . . . 71.0 110.908 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -60.29 -44.72 95.12 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.037 -0.529 . . . . 60.200000000000003 110.866 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.68 -45.42 78.9 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.057 -0.52 . . . . 72.400000000000006 111.234 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.604 ' HA ' HD12 ' A' ' 56' ' ' ILE . 3.2 mtmm -60.32 -33.52 72.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 65.099999999999994 110.866 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -70.65 -34.44 72.06 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.082 -0.508 . . . . 75.099999999999994 110.874 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.12 -45.25 85.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.036 0.446 . . . . 74.299999999999997 111.08 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.604 HD12 ' HA ' ' A' ' 53' ' ' LYS . 4.8 mt -63.21 -35.3 71.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 73.400000000000006 110.933 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -60.38 -51.5 69.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 73.200000000000003 110.866 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.498 ' HA ' HG12 ' A' ' 61' ' ' VAL . . . -59.76 -30.5 68.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 55.399999999999999 111.109 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt -75.28 -30.96 60.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 74.299999999999997 110.842 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 65.7 m -81.7 -44.87 16.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 70.299999999999997 110.941 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.498 HG12 ' HA ' ' A' ' 58' ' ' ALA . 12.2 p -58.63 -39.15 75.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 73.099999999999994 111.102 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.79 -41.4 65.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 73.299999999999997 110.899 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -69.4 -31.49 69.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 73.200000000000003 110.877 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.453 ' CD2' HD12 ' B' ' 122' ' ' LEU . 0.2 OUTLIER -64.47 -49.19 72.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 70.0 110.914 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -60.29 -37.6 80.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 51.100000000000001 110.874 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.678 ' O ' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -70.27 -31.68 69.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 71.5 110.841 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.54 ' HB1' HD21 ' A' ' 29' ' ' LEU . . . -63.48 -57.58 9.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 64.400000000000006 111.06 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -58.71 -31.18 68.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 75.099999999999994 110.974 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -66.1 -31.86 72.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 73.299999999999997 110.852 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.678 HD13 ' O ' ' A' ' 66' ' ' ARG . 9.0 mp -76.42 -49.43 16.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 62.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -31.45 70.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 74.299999999999997 110.924 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -78.22 -31.49 49.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 52.100000000000001 110.862 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -64.93 -40.09 94.5 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.233 -0.44 . . . . 72.299999999999997 110.898 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.6 mt -82.13 -34.56 29.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.05 0.452 . . . . 55.299999999999997 110.936 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.8 ttp85 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 115.986 -0.552 . . . . 74.099999999999994 110.89 -179.86 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . 0.549 ' HA ' HD21 ' B' ' 118' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.83 0.348 . . . . 71.5 110.999 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -64.49 -30.7 71.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 75.5 110.976 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -59.63 -60.46 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 52.399999999999999 110.959 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.588 HD23 ' H ' ' B' ' 118' ' ' LEU . 0.6 OUTLIER -73.6 -31.3 63.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 75.099999999999994 110.969 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 40.9 t -60.53 -37.57 81.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 63.200000000000003 110.912 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -74.24 -45.36 48.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 75.299999999999997 110.866 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -60.37 -31.89 70.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 75.299999999999997 110.875 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.453 HD12 ' CD2' ' A' ' 64' ' ' LEU . 4.9 tt -70.79 -43.6 68.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 72.400000000000006 110.924 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.97 -31.24 69.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 65.400000000000006 111.089 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -82.05 -31.29 30.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 74.400000000000006 111.067 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 8.8 tp -60.41 -52.85 63.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 71.400000000000006 110.901 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -85.32 157.9 20.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 64.400000000000006 110.925 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.301 -0.857 . . . . 64.099999999999994 110.946 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.791 0.329 . . . . 74.0 110.861 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 mp -60.85 -42.46 97.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 75.099999999999994 111.012 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -59.68 -34.53 72.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 73.099999999999994 110.699 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.563 ' O ' HD23 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -79.13 -37.84 37.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 55.200000000000003 111.06 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.521 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -60.7 -51.27 70.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.023 -0.535 . . . . 63.5 111.06 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.0 mt -68.22 -32.73 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 70.200000000000003 111.065 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -59.96 -39.52 85.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 65.099999999999994 110.845 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.683 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 4.3 mm? -69.47 -43.1 73.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 72.099999999999994 110.855 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 9' ' ' ALA . 23.9 t -59.96 -42.91 91.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 54.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.2 m -57.82 -48.59 79.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 75.299999999999997 110.899 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -63.72 -28.97 70.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 73.200000000000003 110.896 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.5 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -77.42 -34.92 54.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 74.099999999999994 110.977 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -45.36 93.74 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.19 -0.459 . . . . 74.5 110.66 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -70.34 -35.8 73.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.267 -0.424 . . . . 71.099999999999994 110.772 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.44 -49.58 58.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.077 -0.51 . . . . 63.299999999999997 110.822 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -59.46 -48.12 82.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.075 -0.511 . . . . 74.099999999999994 110.748 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.56 -23.75 67.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.469 -0.332 . . . . 63.0 111.117 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.62 28.61 3.31 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.254 -0.43 . . . . 72.5 111.267 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt 57.23 65.21 1.42 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.296 -0.411 . . . . 71.200000000000003 110.814 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -138.79 71.69 1.39 Allowed 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.127 -0.488 . . . . 74.5 110.867 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.456 ' CD1' HD22 ' A' ' 70' ' ' LEU . 12.9 m-85 -64.16 -30.51 71.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.354 -0.385 . . . . 54.299999999999997 110.908 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.476 ' N ' HD11 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -72.14 -60.25 2.33 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.382 -0.372 . . . . 72.400000000000006 110.793 -179.899 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -62.23 -44.21 97.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 73.400000000000006 110.918 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.14 -31.35 67.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 64.099999999999994 111.216 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.693 ' CD2' ' HB1' ' A' ' 67' ' ' ALA . 3.1 tm? -74.64 -46.64 36.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 73.400000000000006 110.917 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -59.54 -37.7 79.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 72.299999999999997 110.94 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.5 ' HB2' ' HB2' ' A' ' 16' ' ' ALA . 7.7 mt -74.65 -33.89 62.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 74.400000000000006 110.925 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.752 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.6 m-85 -59.88 -54.03 50.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 71.400000000000006 110.907 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.672 ' CD ' HD13 ' B' ' 125' ' ' LEU . 0.7 OUTLIER -59.71 -44.19 93.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 52.200000000000003 110.866 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -60.23 -37.78 81.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 73.099999999999994 110.88 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.683 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -71.71 -45.85 60.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 51.299999999999997 111.121 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 32' ' ' TYR . 29.5 t -62.46 -41.27 91.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 74.200000000000003 111.081 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -60.24 -41.55 93.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 74.200000000000003 110.92 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -69.08 -34.33 74.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 72.400000000000006 110.907 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.434 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 2.6 m-85 -66.54 -49.37 66.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 74.299999999999997 110.883 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.0 mt -60.04 -31.47 70.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 63.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -71.07 -31.3 67.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 74.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.54 -30.8 63.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 72.400000000000006 111.131 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.4 mt -76.11 -49.74 24.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 72.200000000000003 111.113 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -60.09 -41.94 93.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 70.099999999999994 110.883 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -71.83 -73.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 75.299999999999997 110.875 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -132.95 106.47 7.7 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.214 -0.448 . . . . 64.099999999999994 111.161 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.65 -178.95 4.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 75.099999999999994 111.085 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -101.59 -66.93 0.89 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.937 -0.574 . . . . 75.400000000000006 110.908 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 m -163.1 179.78 7.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 53.5 110.584 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.07 -50.06 75.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.972 0.415 . . . . 72.299999999999997 110.992 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.58 -43.39 97.38 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.94 -0.573 . . . . 63.5 111.035 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.613 ' O ' HD12 ' A' ' 56' ' ' ILE . . . -66.39 -38.81 88.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 74.400000000000006 110.981 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -60.17 -31.72 70.38 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.947 0.403 . . . . 73.299999999999997 111.02 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -75.79 -43.87 44.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.221 -0.445 . . . . 74.200000000000003 110.849 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.2 m -61.7 -51.55 67.92 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.168 -0.469 . . . . 50.100000000000001 110.777 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.613 HD12 ' O ' ' A' ' 52' ' ' ALA . 4.5 mt -61.64 -44.93 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.046 -0.525 . . . . 74.099999999999994 110.959 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.608 ' O ' HG23 ' A' ' 61' ' ' VAL . 52.9 ttp85 -62.22 -43.65 98.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.423 . . . . 75.0 110.866 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.89 -32.89 66.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.424 . . . . 61.0 110.98 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.401 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 4.3 tptt -73.84 -31.11 63.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 74.099999999999994 110.752 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.6 m -74.14 -34.84 64.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 72.400000000000006 110.832 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.6 t -66.61 -42.73 90.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 74.5 111.07 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.23 -35.49 80.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 74.099999999999994 110.846 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.403 ' OH ' HG11 ' A' ' 13' ' ' VAL . 9.2 m-85 -67.28 -32.4 73.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 73.200000000000003 110.86 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.18 -38.48 78.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 74.400000000000006 110.888 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.19 -56.88 16.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 74.299999999999997 110.893 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -60.09 -46.33 89.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 72.099999999999994 110.849 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.693 ' HB1' ' CD2' ' A' ' 29' ' ' LEU . . . -58.15 -45.43 87.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 74.200000000000003 111.09 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -57.51 -31.75 66.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 74.099999999999994 110.756 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.8 tttp -84.0 -28.53 27.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 53.100000000000001 111.088 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.456 HD22 ' CD1' ' A' ' 25' ' ' TYR . 30.3 mt -66.68 -43.54 84.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.332 -0.394 . . . . 70.200000000000003 110.847 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -74.8 -42.5 57.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 75.200000000000003 110.86 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.0 -30.53 71.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 34.100000000000001 110.976 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -67.6 -53.39 28.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.02 -0.536 . . . . 64.299999999999997 110.869 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.476 HD11 ' N ' ' A' ' 26' ' ' GLU . 3.1 mt -59.58 -53.65 55.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 64.200000000000003 110.949 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 116.394 -0.366 . . . . 71.099999999999994 110.959 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . 0.636 ' HA ' HD21 ' B' ' 118' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.835 0.35 . . . . 71.200000000000003 110.946 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.32 -29.47 65.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 72.400000000000006 110.941 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -58.62 -60.48 3.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 72.299999999999997 111.0 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.636 HD21 ' HA ' ' B' ' 115' ' ' GLU . 1.0 OUTLIER -69.99 -29.84 67.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 62.100000000000001 111.006 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 2.8 m -66.62 -46.73 74.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 71.400000000000006 110.956 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -61.61 -44.04 97.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 73.299999999999997 110.884 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -62.69 -32.62 73.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 73.5 110.884 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.49 ' HA ' HD12 ' B' ' 125' ' ' LEU . 1.3 tt -60.73 -51.59 68.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 52.299999999999997 110.924 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.05 -35.18 74.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 65.5 111.118 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.99 -35.66 80.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 55.299999999999997 111.093 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.672 HD13 ' CD ' ' A' ' 33' ' ' GLN . 7.9 mt -64.55 -38.64 91.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 60.100000000000001 110.913 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -98.45 35.57 1.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 74.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 5.1 m120 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.208 -0.901 . . . . 65.099999999999994 110.901 -179.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.769 0.319 . . . . 63.399999999999999 110.892 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.33 -44.47 79.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 64.400000000000006 111.124 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -31.38 70.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.303 -0.408 . . . . 75.5 111.312 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -80.33 -31.74 38.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 73.5 110.81 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.88 -39.27 79.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 44.100000000000001 111.116 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.8 mt -77.65 -49.51 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 65.299999999999997 111.084 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -59.25 -31.26 68.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 75.400000000000006 110.932 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.7 mt -71.77 -52.78 15.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 74.5 110.902 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.78 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 11.6 p -64.08 -35.19 72.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 74.299999999999997 111.116 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 75.0 m -59.26 -49.26 78.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 70.200000000000003 110.886 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.648 ' HB3' HD13 ' A' ' 31' ' ' LEU . 41.0 mmtt -62.34 -31.82 72.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 71.299999999999997 110.836 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.59 -39.36 80.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 72.5 111.097 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.34 -45.57 92.98 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.143 -0.48 . . . . 62.100000000000001 110.77 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -61.61 -40.79 96.07 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.778 0.323 . . . . 63.399999999999999 110.863 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -59.17 -50.38 74.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.337 -0.392 . . . . 74.200000000000003 110.834 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.41 ' OD2' HD11 ' A' ' 70' ' ' LEU . 5.3 t0 -57.76 -30.04 65.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 75.400000000000006 111.027 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -80.03 -26.57 39.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 75.299999999999997 111.003 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.35 29.92 3.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.478 -0.328 . . . . 74.200000000000003 111.08 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt 58.25 37.2 26.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 72.299999999999997 111.214 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -120.76 78.75 1.41 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.239 -0.437 . . . . 71.400000000000006 110.979 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.583 ' O ' HD23 ' A' ' 70' ' ' LEU . 23.8 m-85 -74.59 -33.82 62.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 71.200000000000003 110.817 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.427 ' N ' HD11 ' A' ' 74' ' ' LEU . 4.8 tt0 -63.06 -49.12 75.79 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.814 0.34 . . . . 63.200000000000003 110.804 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -69.79 -42.42 73.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 52.399999999999999 110.911 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.502 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . . . -59.69 -45.48 91.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 53.200000000000003 111.129 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.575 HD23 ' O ' ' A' ' 29' ' ' LEU . 1.6 tt -60.37 -42.79 96.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 70.200000000000003 110.927 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -60.24 -57.87 10.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 74.400000000000006 110.928 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.648 HD13 ' HB3' ' A' ' 15' ' ' LYS . 18.8 mt -60.49 -31.63 70.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 65.400000000000006 110.915 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.414 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.3 m-85 -64.06 -42.57 96.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 74.099999999999994 110.896 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -60.12 -57.6 12.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 72.200000000000003 110.907 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -60.12 -33.38 72.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 75.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.423 ' HB1' ' HB ' ' A' ' 13' ' ' VAL . . . -60.73 -61.91 2.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 75.400000000000006 111.09 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.5 t -59.89 -33.82 53.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 74.5 111.113 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -60.33 -38.78 84.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 70.400000000000006 110.882 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -73.53 -32.04 64.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 73.5 110.913 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -64.57 -53.02 54.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 61.399999999999999 110.875 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.515 ' HA ' HD12 ' A' ' 43' ' ' ILE . 49.4 mt -60.0 -39.57 86.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 64.299999999999997 110.908 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -60.38 -31.58 70.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 75.400000000000006 110.895 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.03 -31.08 61.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 44.399999999999999 111.134 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' A' ' 40' ' ' LEU . 21.9 mt -75.82 -50.88 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 72.400000000000006 111.107 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -31.65 70.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 61.299999999999997 110.879 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -82.44 -74.37 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 72.400000000000006 110.926 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -134.72 111.28 9.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 70.400000000000006 110.939 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -107.52 153.17 23.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.16 0.505 . . . . 60.200000000000003 111.226 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.413 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 10.6 t60 -67.06 -65.82 0.63 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.321 -0.399 . . . . 62.399999999999999 111.034 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.7 m -163.84 -177.03 4.88 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.045 -0.525 . . . . 61.5 111.091 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -62.36 -49.67 74.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.927 0.394 . . . . 74.299999999999997 110.871 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.45 -49.75 76.33 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.119 -0.491 . . . . 70.400000000000006 111.038 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.413 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -60.14 -41.77 93.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 71.200000000000003 111.069 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -60.27 -31.39 70.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 75.200000000000003 110.832 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -68.12 -43.08 79.2 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.068 -0.514 . . . . 74.200000000000003 110.902 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.6 p -60.45 -39.71 88.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 74.299999999999997 111.012 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.1 mt -71.84 -39.3 67.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.958 -0.565 . . . . 70.400000000000006 111.105 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.815 ' O ' HG23 ' A' ' 61' ' ' VAL . 5.7 ttm180 -59.42 -56.29 23.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 73.299999999999997 110.864 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.97 -35.38 69.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 63.100000000000001 110.974 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.405 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 12.4 mmtp -74.53 -30.43 61.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 74.299999999999997 110.735 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 81.4 m -78.85 -40.3 32.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 54.200000000000003 110.849 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 57' ' ' ARG . 27.6 t -60.85 -40.79 86.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 75.400000000000006 111.037 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -72.31 -36.51 68.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 73.400000000000006 110.85 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.78 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 2.5 m-85 -64.49 -33.61 76.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 75.099999999999994 110.87 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.676 HD21 ' HG ' ' B' ' 122' ' ' LEU . 2.9 mt -72.61 -38.26 67.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 62.100000000000001 110.86 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -60.6 -36.37 78.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 71.299999999999997 110.865 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.684 ' O ' HD13 ' A' ' 70' ' ' LEU . 15.0 mmm-85 -71.5 -39.39 70.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 75.299999999999997 110.917 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.67 -49.2 78.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 70.400000000000006 111.073 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -60.13 -38.65 83.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 73.400000000000006 110.874 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.32 -33.93 76.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 63.399999999999999 110.855 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.684 HD13 ' O ' ' A' ' 66' ' ' ARG . 9.2 mp -68.46 -34.81 76.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 72.299999999999997 110.843 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -49.25 75.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 73.400000000000006 110.896 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -64.29 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 60.299999999999997 110.927 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' A' ' 25' ' ' TYR . 11.4 t80 -60.54 -43.1 97.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.862 -0.608 . . . . 54.200000000000003 110.802 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.427 HD11 ' N ' ' A' ' 26' ' ' GLU . 4.6 mt -84.43 -32.34 24.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.244 0.545 . . . . 63.299999999999997 111.032 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.004 -0.544 . . . . 73.200000000000003 110.931 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . 0.648 ' HA ' HD21 ' B' ' 118' ' ' LEU . 2.9 tt0 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.856 0.36 . . . . 74.299999999999997 110.894 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -71.39 -29.4 64.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 74.200000000000003 110.981 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -58.68 -60.42 3.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 61.399999999999999 110.961 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.648 HD21 ' HA ' ' B' ' 115' ' ' GLU . 0.9 OUTLIER -68.84 -30.37 68.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 54.200000000000003 110.951 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 31.0 m -60.26 -46.26 90.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 65.400000000000006 110.923 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.43 -39.43 88.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 71.400000000000006 110.903 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 19.3 mtt180 -61.34 -31.61 71.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 73.400000000000006 110.91 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.676 ' HG ' HD21 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -68.47 -51.38 44.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 70.400000000000006 110.891 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.48 -43.2 99.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 50.5 111.087 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.25 -36.65 84.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 53.100000000000001 111.125 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 9.5 tt -62.39 -42.97 99.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 72.400000000000006 110.894 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 5.7 ptt180 -81.1 141.88 33.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 74.099999999999994 110.882 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 9.0 p30 . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.204 -0.903 . . . . 55.5 110.889 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.4 m . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.812 0.339 . . . . 63.200000000000003 110.858 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.437 HD21 ' HB1' ' A' ' 42' ' ' ALA . 3.6 mm? -67.51 -50.24 59.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 62.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 33.3 tp60 -57.33 -37.41 72.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 75.400000000000006 111.142 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.766 ' O ' HD23 ' A' ' 12' ' ' LEU . 1.1 mmpt? -67.12 -31.37 71.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 70.0 111.104 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.696 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -69.55 -30.56 68.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.013 -0.54 . . . . 73.299999999999997 111.106 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.4 mm -70.41 -48.66 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 63.5 111.106 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -59.41 -34.1 72.05 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.176 -0.465 . . . . 64.099999999999994 111.442 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.766 HD23 ' O ' ' A' ' 8' ' ' LYS . 3.5 mm? -70.2 -54.95 10.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.041 -0.527 . . . . 72.099999999999994 110.848 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.4 p -60.5 -36.55 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 61.200000000000003 111.113 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.0 m -59.93 -50.93 71.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.400000000000006 110.847 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -60.16 -31.62 70.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 71.299999999999997 110.877 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.57 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -69.79 -38.93 76.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 54.399999999999999 111.092 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.814 HG22 ' HE3' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -60.45 -40.8 92.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 71.299999999999997 110.839 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -68.92 -44.65 72.67 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-O 121.122 0.487 . . . . 75.099999999999994 110.95 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.431 ' HB3' ' HB2' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -58.87 -53.46 58.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.557 . . . . 74.400000000000006 110.808 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -57.39 -30.17 64.68 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 116.018 -0.537 . . . . 74.099999999999994 111.225 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.814 ' HE3' HG22 ' A' ' 17' ' ' THR . 14.5 mttt -83.93 -25.19 30.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 73.400000000000006 110.984 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.98 29.06 3.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.709 0.29 . . . . 42.0 111.168 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt 58.86 36.79 24.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.31 -0.404 . . . . 54.5 110.909 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 -118.9 77.98 1.24 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.94 0.4 . . . . 53.0 110.766 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.488 ' CE2' ' CE1' ' A' ' 73' ' ' TYR . 17.2 m-85 -68.77 -42.33 77.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.506 . . . . 73.299999999999997 110.905 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.24 -59.85 4.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.329 -0.396 . . . . 74.200000000000003 110.867 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -61.03 -31.67 71.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 71.400000000000006 110.919 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.431 ' HB2' ' HB3' ' A' ' 19' ' ' GLU . . . -70.31 -30.69 67.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 72.099999999999994 111.119 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.542 HD13 ' C ' ' A' ' 29' ' ' LEU . 3.3 tm? -71.19 -47.63 56.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 74.5 110.927 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.4 ptm85 -58.98 -36.17 74.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 74.400000000000006 110.913 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.57 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 3.3 mm? -74.64 -46.6 37.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 75.299999999999997 110.875 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.404 ' CD2' ' HB1' ' A' ' 16' ' ' ALA . 2.5 m-85 -60.41 -39.46 87.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 71.099999999999994 110.901 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -60.19 -56.43 21.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 62.100000000000001 110.885 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.498 ' CD2' ' CE2' ' A' ' 38' ' ' TYR . 1.3 t-160 -61.11 -31.55 71.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 63.399999999999999 110.898 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.468 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -61.36 -61.82 2.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 64.099999999999994 111.151 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.429 HG11 ' CD1' ' B' ' 122' ' ' LEU . 21.5 t -59.71 -34.18 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 75.5 111.136 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -59.66 -39.57 84.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 74.099999999999994 110.903 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.498 ' CE2' ' CD2' ' A' ' 34' ' ' HIS . 7.9 m-85 -72.19 -34.6 68.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 74.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.696 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 35.9 m-85 -65.52 -48.69 71.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 73.099999999999994 110.907 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.527 HD11 HD13 ' B' ' 122' ' ' LEU . 77.2 mt -59.46 -38.65 81.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 73.299999999999997 110.938 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -64.39 -31.28 72.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 72.200000000000003 110.881 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.437 ' HB1' HD21 ' A' ' 6' ' ' LEU . . . -70.64 -33.88 71.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 50.299999999999997 111.064 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.0 mt -71.89 -52.4 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 53.299999999999997 111.122 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -60.13 -31.42 70.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 72.400000000000006 110.915 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -83.28 -73.1 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 71.299999999999997 110.919 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -141.71 115.23 8.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.001 -0.545 . . . . 63.200000000000003 110.659 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.41 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -98.03 166.08 11.6 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.12 -0.491 . . . . 61.299999999999997 110.969 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -84.97 -58.06 2.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.386 -0.37 . . . . 61.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.6 p -172.45 179.02 2.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.98 -0.554 . . . . 73.099999999999994 110.695 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.96 -47.35 86.82 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.927 -0.579 . . . . 50.100000000000001 110.854 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.23 -46.43 90.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.354 -0.384 . . . . 51.200000000000003 110.841 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.74 -44.09 74.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 54.299999999999997 110.954 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.41 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 22.8 mtmt -60.12 -31.85 70.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 75.200000000000003 110.884 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -74.36 -32.51 62.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 71.099999999999994 110.893 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.89 -33.3 73.54 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.06 -0.518 . . . . 72.099999999999994 110.832 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.4 mt -75.44 -34.98 31.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.957 -0.565 . . . . 72.299999999999997 111.113 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.684 ' O ' HG23 ' A' ' 61' ' ' VAL . 1.6 mtm180 -59.84 -58.26 9.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 75.200000000000003 110.878 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.96 -41.09 82.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 54.5 111.046 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 8.4 mttp -67.19 -30.34 70.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 74.5 110.818 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 12.9 m -74.02 -40.98 62.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 72.400000000000006 110.862 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.5 t -59.66 -38.78 77.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 71.299999999999997 111.12 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -76.36 -30.77 57.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 61.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 59' ' ' LYS . 3.4 m-85 -69.16 -52.76 24.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 72.299999999999997 110.921 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.6 pp -60.65 -36.56 78.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 65.400000000000006 110.908 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.36 -41.61 94.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 45.200000000000003 110.795 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -70.61 -31.21 68.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 72.099999999999994 110.831 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.52 ' O ' HD23 ' A' ' 29' ' ' LEU . . . -63.93 -58.06 7.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 72.299999999999997 111.109 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.41 ' N ' HD11 ' B' ' 125' ' ' LEU . 0.4 OUTLIER -58.66 -30.93 67.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 74.0 110.88 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -69.55 -31.11 69.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 72.400000000000006 110.885 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.416 HD22 ' HB3' ' A' ' 25' ' ' TYR . 64.8 mt -77.88 -46.98 19.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 63.299999999999997 110.899 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.5 tptt -60.0 -31.36 69.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 74.200000000000003 110.897 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.61 -31.45 41.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 74.099999999999994 110.959 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.488 ' CE1' ' CE2' ' A' ' 25' ' ' TYR . 36.9 t80 -60.15 -43.83 95.45 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.191 -0.458 . . . . 75.400000000000006 110.884 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.8 mt -77.55 -32.59 53.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.327 0.584 . . . . 74.299999999999997 111.139 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 115.972 -0.558 . . . . 73.099999999999994 110.899 -179.829 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . 0.561 ' HA ' HD21 ' B' ' 118' ' ' LEU . 1.6 pm0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.794 0.331 . . . . 64.299999999999997 110.918 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -65.31 -30.66 71.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 71.099999999999994 110.928 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -60.5 3.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.419 . . . . 72.099999999999994 110.934 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.59 HD23 ' H ' ' B' ' 118' ' ' LEU . 0.7 OUTLIER -73.44 -31.45 63.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 73.400000000000006 110.918 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 41.5 t -60.6 -42.94 97.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 72.200000000000003 110.862 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -68.48 -46.18 70.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 63.5 110.926 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 59.5 mtp85 -60.48 -39.77 88.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 74.400000000000006 110.837 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.527 HD13 HD11 ' A' ' 40' ' ' LEU . 8.4 tt -62.07 -37.69 85.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 61.299999999999997 110.868 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.83 -48.3 82.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 71.299999999999997 111.075 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.87 -30.76 70.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 71.200000000000003 111.06 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.41 HD11 ' N ' ' A' ' 68' ' ' GLU . 6.0 tt -59.94 -57.94 10.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 73.299999999999997 110.923 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.31 119.74 18.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 72.5 110.905 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.23 -0.891 . . . . 41.299999999999997 110.879 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.834 0.349 . . . . 70.099999999999994 110.922 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.54 -44.76 81.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 74.299999999999997 110.848 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -60.66 -30.66 70.04 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.21 -0.45 . . . . 63.100000000000001 111.27 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.554 ' O ' HD12 ' A' ' 12' ' ' LEU . 21.0 mmtt -84.07 -32.36 24.84 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.084 -0.507 . . . . 74.0 110.876 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.496 ' HB1' ' CE1' ' A' ' 39' ' ' PHE . . . -63.48 -37.95 89.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 64.0 111.067 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.3 mt -78.69 -48.69 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 75.099999999999994 111.08 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.75 -30.94 67.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 41.299999999999997 111.074 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.782 HD22 ' HB2' ' A' ' 34' ' ' HIS . 16.6 mt -71.78 -53.76 12.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 55.299999999999997 110.899 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.404 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 11.8 p -63.14 -34.14 65.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 65.299999999999997 111.1 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 81.0 m -58.47 -53.31 59.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 64.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -60.41 -31.87 70.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 75.5 110.83 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.524 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -66.59 -41.1 89.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 51.100000000000001 111.008 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.28 -42.72 96.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 71.400000000000006 110.691 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -64.31 -36.31 83.69 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 116.203 -0.453 . . . . 73.099999999999994 110.719 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -71.67 -46.33 59.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.266 -0.424 . . . . 64.400000000000006 110.94 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -62.27 -32.33 73.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.018 -0.537 . . . . 71.400000000000006 110.981 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.1 pttt -88.02 -25.63 23.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 74.299999999999997 111.13 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.98 29.01 3.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.474 -0.33 . . . . 70.099999999999994 111.279 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.1 mttt 56.96 70.49 0.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.302 -0.408 . . . . 74.400000000000006 111.175 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -156.11 77.3 0.94 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.101 -0.499 . . . . 74.200000000000003 110.975 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.662 ' HA ' HD23 ' A' ' 70' ' ' LEU . 9.5 m-85 -76.83 -32.73 57.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 73.099999999999994 110.907 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.66 ' HB3' HD13 ' A' ' 74' ' ' LEU . 13.0 pt-20 -65.49 -47.89 74.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.898 -0.592 . . . . 53.100000000000001 110.992 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.91 -36.33 59.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 75.200000000000003 110.866 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.45 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . . . -58.93 -42.51 89.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 62.5 111.113 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.743 ' O ' HD13 ' A' ' 29' ' ' LEU . 2.6 tm? -60.14 -36.43 77.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 61.200000000000003 110.837 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -60.24 -47.11 87.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 73.200000000000003 110.819 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 12' ' ' LEU . 4.4 mm? -67.48 -40.35 85.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 70.400000000000006 110.927 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.784 ' O ' HG23 ' A' ' 36' ' ' VAL . 4.8 m-85 -59.93 -38.6 82.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 73.200000000000003 110.931 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -61.52 -58.66 7.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 74.400000000000006 110.886 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.782 ' HB2' HD22 ' A' ' 12' ' ' LEU . 2.6 m-70 -63.16 -37.62 87.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 62.100000000000001 110.864 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.476 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -59.96 -55.0 39.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 65.400000000000006 111.089 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 32' ' ' TYR . 27.9 t -63.24 -41.2 91.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 63.100000000000001 111.094 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -60.15 -44.37 95.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 75.400000000000006 110.942 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -65.93 -31.69 72.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 72.299999999999997 110.903 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.496 ' CE1' ' HB1' ' A' ' 9' ' ' ALA . 2.6 m-85 -66.9 -51.74 51.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 73.400000000000006 110.911 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.46 ' HA ' HD12 ' A' ' 43' ' ' ILE . 47.6 mt -59.82 -39.45 85.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 52.200000000000003 110.899 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -63.09 -31.44 72.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 74.5 110.914 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.58 -31.14 64.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 74.200000000000003 111.099 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 40' ' ' LEU . 22.4 mt -75.74 -51.8 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 74.200000000000003 111.101 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -31.62 70.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 62.200000000000003 110.877 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -79.54 -41.53 27.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 72.299999999999997 110.906 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -156.58 164.67 37.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 72.200000000000003 111.057 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.51 131.12 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.314 -0.403 . . . . 61.200000000000003 111.012 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -63.43 -58.31 7.45 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.411 -0.359 . . . . 74.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.7 m -156.55 -178.68 7.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 74.400000000000006 110.526 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.62 -35.23 77.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 71.200000000000003 110.799 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.58 -46.87 86.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.391 -0.368 . . . . 71.099999999999994 110.814 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.538 ' O ' HD12 ' A' ' 56' ' ' ILE . . . -65.13 -41.89 94.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.982 -0.554 . . . . 73.400000000000006 111.169 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -60.75 -33.56 73.11 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.277 -0.42 . . . . 51.399999999999999 110.838 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.49 -43.48 60.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.306 -0.406 . . . . 62.399999999999999 110.929 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 95.0 p -60.98 -48.27 82.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 73.200000000000003 110.941 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.538 HD12 ' O ' ' A' ' 52' ' ' ALA . 4.8 mt -63.14 -36.88 77.77 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.272 0 CA-C-N 116.394 -0.366 . . . . 72.400000000000006 110.864 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.752 ' O ' HG23 ' A' ' 61' ' ' VAL . 3.5 tmt_? -60.38 -52.65 64.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.349 -0.387 . . . . 74.0 110.864 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.04 -31.38 65.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 71.200000000000003 111.003 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.403 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 20.5 mttm -77.22 -31.13 54.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 72.5 110.766 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 71.6 m -78.09 -34.67 50.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.146 -0.479 . . . . 62.100000000000001 110.784 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 57' ' ' ARG . 29.8 t -68.02 -40.11 82.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 74.400000000000006 111.02 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -72.44 -32.09 66.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 74.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.404 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 3.0 m-85 -70.8 -34.5 71.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 70.099999999999994 110.859 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.607 HD12 ' HB2' ' B' ' 118' ' ' LEU . 11.6 mt -69.65 -39.22 77.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 72.299999999999997 110.855 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -60.2 -49.24 78.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 64.200000000000003 110.891 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.498 ' O ' HD13 ' A' ' 70' ' ' LEU . 19.5 ttt85 -62.04 -32.21 72.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 55.299999999999997 110.846 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.629 ' HB1' HD21 ' A' ' 29' ' ' LEU . . . -59.4 -55.53 33.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 73.400000000000006 111.065 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -58.57 -30.93 67.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 73.0 110.97 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -69.14 -30.95 69.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 73.200000000000003 110.915 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.662 HD23 ' HA ' ' A' ' 25' ' ' TYR . 7.7 mp -80.59 -50.24 10.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 73.5 110.923 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.04 -31.55 71.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 63.200000000000003 110.924 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.59 -30.94 41.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 74.099999999999994 110.956 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -60.19 -45.49 92.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.88 -0.6 . . . . 63.399999999999999 110.57 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.66 HD13 ' HB3' ' A' ' 26' ' ' GLU . 5.5 mt -83.79 -41.53 17.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.419 -0.355 . . . . 51.399999999999999 110.848 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.321 -0.639 0 CA-C-N 116.204 -0.453 . . . . 71.299999999999997 110.896 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . 0.629 ' HA ' HD21 ' B' ' 118' ' ' LEU . 1.3 mp0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.89 0.376 . . . . 71.099999999999994 110.921 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -73.15 -30.04 63.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 74.299999999999997 110.959 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -60.4 3.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 54.299999999999997 110.966 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.629 HD21 ' HA ' ' B' ' 115' ' ' GLU . 1.1 pt? -70.79 -29.44 65.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 63.100000000000001 110.919 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 35.0 t -65.81 -40.14 91.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.411 . . . . 43.200000000000003 110.931 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -66.83 -46.41 75.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 74.299999999999997 110.901 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -60.3 -32.05 70.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 73.200000000000003 110.896 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.601 ' HG ' HD21 ' A' ' 64' ' ' LEU . 1.8 tt -63.54 -51.79 63.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 71.5 110.874 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.9 -44.44 94.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 43.399999999999999 111.092 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.47 -31.94 72.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 63.200000000000003 111.118 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 5.1 tp -61.18 -54.53 43.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 74.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -61.52 114.29 3.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 73.299999999999997 110.877 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 5.0 t30 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.258 -0.877 . . . . 74.299999999999997 110.883 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 38' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.837 0.351 . . . . 73.400000000000006 110.871 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.744 HD23 HD11 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -60.31 -48.34 82.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 63.100000000000001 110.848 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -58.23 -37.69 75.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 50.200000000000003 110.807 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.7 mmtt -75.24 -30.51 60.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 72.0 111.295 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.598 ' HB2' ' HB3' ' A' ' 38' ' ' TYR . . . -64.26 -53.4 49.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.018 -0.537 . . . . 52.5 111.043 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.744 HD11 HD23 ' A' ' 6' ' ' LEU . 4.7 mt -64.08 -34.18 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 72.0 111.082 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.87 -41.22 86.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 63.100000000000001 110.891 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.855 HD23 HD23 ' A' ' 31' ' ' LEU . 3.5 mt -67.34 -40.08 85.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 63.5 110.817 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.625 HG13 ' HE1' ' A' ' 32' ' ' TYR . 23.9 t -64.95 -38.09 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 73.400000000000006 111.065 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.06 -57.85 11.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 70.299999999999997 110.953 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -58.49 -26.12 63.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 72.299999999999997 111.076 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.594 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -76.95 -37.85 54.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 71.5 111.084 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -37.36 81.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 74.400000000000006 110.733 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -74.23 -36.87 63.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.701 -0.681 . . . . 65.099999999999994 110.884 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.41 -49.84 44.74 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.833 -0.621 . . . . 74.400000000000006 110.867 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -59.03 -33.16 70.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.096 -0.502 . . . . 61.5 110.826 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 pttp -88.15 -26.34 22.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.747 0.308 . . . . 71.200000000000003 111.045 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.34 29.7 3.12 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.209 -0.451 . . . . 71.400000000000006 111.209 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.3 mttp 57.77 70.26 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.254 0.55 . . . . 72.0 111.151 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 -154.89 62.33 0.65 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.182 -0.463 . . . . 72.099999999999994 110.658 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.43 ' CE2' ' CE2' ' A' ' 73' ' ' TYR . 23.5 m-85 -64.07 -32.26 73.75 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-O 120.874 0.369 . . . . 74.099999999999994 110.975 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.407 ' N ' HD11 ' A' ' 74' ' ' LEU . 8.9 tt0 -67.45 -39.98 85.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.964 -0.562 . . . . 72.400000000000006 110.782 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.433 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.7 OUTLIER -82.96 -31.98 27.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 43.200000000000003 110.886 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.77 -43.49 68.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 55.200000000000003 111.159 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.542 ' CD2' ' HB1' ' A' ' 67' ' ' ALA . 3.3 tm? -60.46 -48.51 81.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 73.400000000000006 110.914 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -59.39 -43.12 93.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 74.400000000000006 110.95 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.855 HD23 HD23 ' A' ' 12' ' ' LEU . 8.7 mt -72.1 -42.15 66.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 60.100000000000001 110.826 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.625 ' HE1' HG13 ' A' ' 13' ' ' VAL . 3.7 m-85 -63.16 -38.64 91.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 74.5 110.93 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -59.98 -57.57 12.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 44.399999999999999 110.908 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.443 ' C ' HD13 ' A' ' 12' ' ' LEU . 2.0 m-70 -60.22 -31.57 70.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 75.099999999999994 110.916 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.58 ' HB2' ' HB3' ' A' ' 12' ' ' LEU . . . -60.05 -51.67 68.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 75.0 111.144 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.819 HG11 HD21 ' A' ' 64' ' ' LEU . 21.4 t -59.58 -39.68 80.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 54.299999999999997 111.121 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -60.58 -31.94 71.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 63.200000000000003 110.908 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.598 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 8.3 m-85 -77.86 -32.13 51.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 75.299999999999997 110.863 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -67.65 -53.48 27.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.595 ' HA ' HD12 ' A' ' 43' ' ' ILE . 40.8 mt -59.41 -42.23 91.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 70.099999999999994 110.922 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.468 ' CE1' ' CZ ' ' A' ' 45' ' ' TYR . 1.2 t-80 -61.29 -31.44 71.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 65.099999999999994 110.922 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.94 -31.13 66.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 74.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.595 HD12 ' HA ' ' A' ' 40' ' ' LEU . 20.8 mt -73.84 -48.85 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 62.399999999999999 111.105 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.422 ' HD3' ' CD2' ' A' ' 41' ' ' HIS . 0.1 OUTLIER -64.48 -36.71 85.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 71.5 110.884 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.468 ' CZ ' ' CE1' ' A' ' 41' ' ' HIS . 2.3 m-85 -70.42 -72.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 74.200000000000003 110.871 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -131.3 109.01 10.06 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.209 -0.451 . . . . 71.099999999999994 110.938 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -107.57 166.3 10.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 72.0 111.132 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -101.81 -63.3 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 75.400000000000006 110.856 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.4 m -157.87 178.41 10.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 72.5 110.994 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -60.96 -37.27 81.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 72.099999999999994 110.841 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -54.96 31.97 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.153 -0.476 . . . . 51.100000000000001 110.864 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.94 95.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 71.5 111.194 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.5 mtmt -60.4 -31.63 70.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.082 -0.508 . . . . 53.200000000000003 110.68 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -76.42 -45.7 30.4 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.906 0.384 . . . . 65.099999999999994 110.936 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 76.2 p -60.36 -43.47 96.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.091 -0.504 . . . . 74.0 111.055 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.7 mt -67.53 -41.58 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 50.200000000000003 110.905 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.66 ' O ' HG23 ' A' ' 61' ' ' VAL . 7.9 tmm_? -66.85 -44.79 80.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 64.099999999999994 110.869 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.32 -35.73 67.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 62.200000000000003 111.02 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.62 -30.94 64.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 71.299999999999997 110.724 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.776 ' O ' HD23 ' A' ' 64' ' ' LEU . 66.9 m -73.85 -36.28 64.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 72.400000000000006 110.847 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 57' ' ' ARG . 21.5 t -62.96 -49.98 81.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 54.5 111.067 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -62.82 -33.99 76.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 72.099999999999994 110.878 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -69.13 -34.61 75.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 74.299999999999997 110.856 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.819 HD21 HG11 ' A' ' 36' ' ' VAL . 3.7 mm? -63.59 -42.92 98.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 74.099999999999994 110.814 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.38 -48.78 80.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 73.299999999999997 110.907 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 -59.78 -44.03 94.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 71.200000000000003 110.883 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.542 ' HB1' ' CD2' ' A' ' 29' ' ' LEU . . . -57.67 -45.43 85.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 41.200000000000003 111.119 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.431 ' HA ' HD21 ' B' ' 125' ' ' LEU . 18.5 tt0 -57.6 -34.6 69.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 62.100000000000001 110.686 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.83 -29.76 40.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.104 -0.498 . . . . 65.0 111.06 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.5 ' HB2' HD23 ' A' ' 29' ' ' LEU . 30.7 mt -64.93 -52.77 54.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 72.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -66.57 -37.35 84.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 75.299999999999997 110.848 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -66.35 -31.06 71.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 73.200000000000003 110.84 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.43 ' CE2' ' CE2' ' A' ' 25' ' ' TYR . 79.9 t80 -66.21 -52.48 47.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.867 0.365 . . . . 73.400000000000006 110.906 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.407 HD11 ' N ' ' A' ' 26' ' ' GLU . 4.6 mt -68.15 -44.81 75.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 74.400000000000006 110.981 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.236 -0.438 . . . . 72.5 111.154 179.881 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . 0.614 ' HA ' HD21 ' B' ' 118' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.862 0.363 . . . . 74.5 110.914 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -69.58 -29.88 67.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 75.200000000000003 110.99 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -59.08 -60.42 3.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 74.099999999999994 111.008 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.614 HD21 ' HA ' ' B' ' 115' ' ' GLU . 1.0 OUTLIER -72.21 -29.59 64.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 73.400000000000006 110.939 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 38.9 t -60.7 -50.47 73.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 74.5 110.877 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -63.91 -41.33 97.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 73.099999999999994 110.885 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 -60.19 -40.92 91.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 75.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.45 ' O ' HD23 ' B' ' 122' ' ' LEU . 1.6 tt -62.16 -37.19 84.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 54.399999999999999 110.872 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.85 -46.18 90.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 72.400000000000006 111.103 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.37 -31.19 57.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 71.299999999999997 111.062 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.435 ' HA ' HD22 ' B' ' 125' ' ' LEU . 0.3 OUTLIER -60.38 -37.66 81.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 73.299999999999997 110.89 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -86.75 155.87 20.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 61.5 110.891 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 12.2 p30 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.261 -0.876 . . . . 64.200000000000003 110.898 179.974 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.755 0.312 . . . . 64.400000000000006 110.898 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.486 ' O ' HD12 ' A' ' 10' ' ' ILE . 3.4 mp -60.28 -43.81 95.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 42.200000000000003 110.833 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -60.02 -38.09 81.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 72.5 110.984 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.02 -36.27 48.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 71.400000000000006 111.025 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.416 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -60.44 -47.91 84.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.047 -0.524 . . . . 70.099999999999994 111.056 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.486 HD12 ' O ' ' A' ' 6' ' ' LEU . 4.5 mt -63.57 -53.55 43.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 63.100000000000001 111.04 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.65 -31.14 67.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.200000000000003 110.973 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.404 HD22 ' HB3' ' A' ' 34' ' ' HIS . 23.9 mt -72.09 -50.9 24.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 54.100000000000001 110.897 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.576 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 11.9 p -66.99 -34.72 71.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 64.400000000000006 111.119 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.0 m -58.52 -55.21 38.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 74.299999999999997 110.86 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -31.48 69.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 74.400000000000006 110.852 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.759 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -67.71 -34.06 76.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 71.0 110.985 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.17 -36.59 77.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 75.299999999999997 110.717 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -68.62 -44.42 74.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.393 -0.367 . . . . 72.5 110.738 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.03 -51.92 67.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 71.299999999999997 110.959 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.789 ' OD2' HD11 ' A' ' 70' ' ' LEU . 5.3 t70 -57.93 -30.36 65.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 62.399999999999999 111.105 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -83.5 -27.96 29.03 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-N 116.477 -0.329 . . . . 74.400000000000006 110.806 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.33 29.11 3.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.789 0.328 . . . . 71.200000000000003 111.289 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mttm 58.14 70.35 0.66 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.266 0.555 . . . . 71.299999999999997 111.168 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -152.56 74.27 1.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.04 -0.527 . . . . 72.200000000000003 110.818 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.738 ' CD1' HD22 ' A' ' 70' ' ' LEU . 11.4 m-85 -69.1 -31.7 70.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 74.299999999999997 110.769 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.503 ' HG3' HD13 ' A' ' 74' ' ' LEU . 3.8 tt0 -72.32 -38.17 68.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.861 0.362 . . . . 74.299999999999997 110.78 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -83.02 -30.33 28.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 62.0 110.957 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.403 ' O ' ' CD2' ' A' ' 32' ' ' TYR . . . -72.85 -43.71 62.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 72.099999999999994 111.159 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.595 HD11 ' HB2' ' A' ' 71' ' ' LYS . 1.6 tt -59.64 -54.18 49.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 72.099999999999994 110.897 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -36.55 73.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 71.299999999999997 111.016 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.759 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 1.9 mt -76.53 -31.53 57.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 74.200000000000003 110.884 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.439 ' CE2' ' HD3' ' A' ' 66' ' ' ARG . 8.6 m-85 -69.85 -48.41 58.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 75.200000000000003 110.969 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.456 ' OE1' HD23 ' B' ' 125' ' ' LEU . 34.6 mt-30 -59.54 -45.84 90.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 62.100000000000001 110.949 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.404 ' HB3' HD22 ' A' ' 12' ' ' LEU . 2.3 t-160 -60.49 -37.62 81.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 71.299999999999997 110.936 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.45 -57.36 7.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 35.399999999999999 111.072 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 32' ' ' TYR . 21.5 t -59.63 -32.7 49.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 43.100000000000001 111.105 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -60.21 -45.41 93.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 64.299999999999997 110.907 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -68.86 -31.53 70.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 74.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.416 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 2.5 m-85 -68.1 -42.2 80.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 73.200000000000003 110.903 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.839 ' HA ' HD12 ' A' ' 43' ' ' ILE . 83.6 mt -60.17 -47.74 84.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 65.400000000000006 110.906 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -63.41 -31.31 72.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 55.299999999999997 110.876 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.37 -33.65 74.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 72.099999999999994 111.132 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.839 HD12 ' HA ' ' A' ' 40' ' ' LEU . 5.2 mt -72.22 -53.09 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 54.100000000000001 111.085 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -60.05 -31.36 69.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 65.299999999999997 110.929 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -79.32 -50.85 10.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 75.099999999999994 110.862 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -142.0 158.58 43.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 64.0 110.857 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.431 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -175.24 130.14 0.29 Allowed 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 116.077 -0.51 . . . . 54.299999999999997 111.012 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -60.34 -74.58 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.068 -0.514 . . . . 73.200000000000003 110.886 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.9 t -146.24 -171.81 3.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 72.099999999999994 110.752 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -64.71 -39.17 93.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 74.400000000000006 110.9 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -60.54 -52.36 65.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.294 -0.412 . . . . 75.299999999999997 110.998 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.98 -43.17 99.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 73.200000000000003 111.178 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.431 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 19.4 mtmm -60.09 -31.46 70.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.308 -0.405 . . . . 65.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.98 -43.34 65.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 74.0 110.936 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.5 p -60.32 -46.98 87.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 73.400000000000006 110.702 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 34.4 mt -69.78 -37.64 74.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 116.24 -0.436 . . . . 65.299999999999997 110.848 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.671 ' O ' HG23 ' A' ' 61' ' ' VAL . 10.4 ttp180 -69.16 -47.51 64.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 62.5 110.884 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.73 -36.32 67.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 75.200000000000003 111.013 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.403 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 44.2 mttt -72.2 -30.72 65.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.053 -0.521 . . . . 72.400000000000006 110.764 179.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 81.3 m -74.79 -37.85 62.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 64.299999999999997 110.841 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.685 HG22 HD22 ' B' ' 118' ' ' LEU . 21.6 t -61.96 -45.2 99.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 74.099999999999994 111.069 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -70.48 -35.8 73.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 62.100000000000001 110.85 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.576 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 3.0 m-85 -66.91 -34.55 78.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 74.299999999999997 110.827 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.478 HD21 ' HG ' ' B' ' 122' ' ' LEU . 0.2 OUTLIER -73.24 -31.34 64.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 74.400000000000006 110.903 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -62.91 -50.37 71.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 52.200000000000003 110.889 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.439 ' HD3' ' CE2' ' A' ' 32' ' ' TYR . 4.7 ptp85 -64.9 -34.02 77.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 63.399999999999999 110.896 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.18 -53.06 62.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 73.299999999999997 111.089 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -59.87 -31.21 69.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 73.400000000000006 110.892 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -68.78 -41.41 78.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 51.399999999999999 110.878 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.789 HD11 ' OD2' ' A' ' 20' ' ' ASP . 64.6 mt -64.21 -31.09 72.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 72.400000000000006 110.897 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.595 ' HB2' HD11 ' A' ' 29' ' ' LEU . 6.7 tttp -69.83 -39.98 76.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 75.0 110.82 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -66.3 -31.26 71.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 72.200000000000003 110.897 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -65.25 -56.15 14.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 72.5 110.879 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.503 HD13 ' HG3' ' A' ' 26' ' ' GLU . 6.0 mt -65.13 -31.52 72.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.308 -0.406 . . . . 73.400000000000006 111.037 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 116.116 -0.493 . . . . 75.299999999999997 111.144 -179.914 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . 0.646 ' HA ' HD21 ' B' ' 118' ' ' LEU . 4.1 tm-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.794 0.33 . . . . 74.0 110.89 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -72.83 -29.11 62.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 62.399999999999999 110.984 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -58.3 -60.41 3.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 74.099999999999994 110.977 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.685 HD22 HG22 ' A' ' 61' ' ' VAL . 1.0 OUTLIER -68.46 -29.93 68.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 35.100000000000001 110.922 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 22.7 t -62.41 -41.44 98.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 51.399999999999999 110.891 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -68.92 -43.11 75.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 73.099999999999994 110.934 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 24.9 mtt-85 -60.27 -32.39 71.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 74.400000000000006 110.908 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.545 HD13 HD11 ' A' ' 40' ' ' LEU . 1.4 tt -69.22 -42.85 75.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 71.099999999999994 110.869 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.83 -47.58 85.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 53.5 111.129 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.08 -35.91 80.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 73.5 111.091 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.456 HD23 ' OE1' ' A' ' 33' ' ' GLN . 24.6 tp -60.39 -34.27 73.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 72.299999999999997 110.916 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -67.46 -56.22 10.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 31.199999999999999 110.93 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 3.3 p30 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.256 -0.878 . . . . 71.400000000000006 110.901 179.982 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.828 0.347 . . . . 62.200000000000003 110.902 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.36 -43.33 96.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 75.099999999999994 110.886 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -60.38 -37.39 80.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 65.400000000000006 111.079 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -77.11 -31.67 55.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 74.099999999999994 111.141 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.743 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -63.75 -52.38 60.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 65.099999999999994 111.095 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.4 mt -63.74 -39.77 86.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 62.200000000000003 111.024 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.05 -37.98 81.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 52.100000000000001 111.197 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.738 HD22 ' HB3' ' A' ' 34' ' ' HIS . 9.3 mt -71.73 -37.83 70.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 64.200000000000003 110.932 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 9' ' ' ALA . 32.2 t -66.97 -41.95 88.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 71.5 111.056 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 m -58.3 -50.12 74.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 73.299999999999997 110.928 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.673 ' HB3' HD13 ' A' ' 31' ' ' LEU . 13.9 mmtt -60.39 -30.74 69.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 72.299999999999997 110.909 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.94 -34.39 57.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 70.200000000000003 111.044 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.44 -40.49 91.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 54.399999999999999 110.69 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -70.89 -44.6 65.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 75.099999999999994 110.802 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -58.72 -56.21 25.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 62.299999999999997 110.9 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -56.94 -30.24 63.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.967 -0.56 . . . . 74.099999999999994 110.881 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -85.25 -25.01 27.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.357 -0.383 . . . . 72.099999999999994 111.004 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.01 29.64 3.02 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.143 -0.481 . . . . 54.0 111.289 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt 58.99 41.53 20.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.409 . . . . 73.400000000000006 111.235 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -126.82 78.16 1.78 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.145 -0.479 . . . . 74.400000000000006 111.027 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.648 ' CD1' HD22 ' A' ' 70' ' ' LEU . 20.2 m-85 -73.85 -32.37 63.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.764 -0.653 . . . . 72.5 110.923 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.508 ' OE1' HD13 ' A' ' 74' ' ' LEU . 2.3 tp10 -60.14 -60.0 4.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.341 -0.39 . . . . 71.099999999999994 110.878 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -64.73 -35.78 82.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 73.099999999999994 110.943 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.477 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -59.43 -46.75 87.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 65.400000000000006 111.1 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.846 HD11 ' NE2' ' A' ' 33' ' ' GLN . 3.2 tm? -61.15 -39.51 90.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 65.099999999999994 110.901 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -60.33 -51.45 69.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 71.200000000000003 110.915 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.673 HD13 ' HB3' ' A' ' 15' ' ' LYS . 8.0 mt -73.83 -31.46 63.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 75.200000000000003 110.889 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.477 ' CE2' ' HB1' ' A' ' 28' ' ' ALA . 2.1 m-85 -62.36 -50.83 70.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 74.200000000000003 110.919 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.846 ' NE2' HD11 ' A' ' 29' ' ' LEU . 36.5 mt-30 -60.01 -50.13 74.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 52.399999999999999 110.921 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.738 ' HB3' HD22 ' A' ' 12' ' ' LEU . 1.5 t-160 -60.3 -32.97 71.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 63.399999999999999 110.928 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.471 ' HB1' HG22 ' A' ' 13' ' ' VAL . . . -65.77 -58.18 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 63.200000000000003 111.13 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.66 -34.13 54.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 61.200000000000003 111.133 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.53 -49.62 76.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 72.200000000000003 110.897 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -61.81 -34.79 76.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 75.200000000000003 110.937 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -62.23 -51.29 68.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 72.200000000000003 110.907 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.581 ' HA ' HD12 ' A' ' 43' ' ' ILE . 61.9 mt -59.9 -40.32 88.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 74.400000000000006 110.925 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -60.7 -31.51 70.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 70.200000000000003 110.936 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.1 -31.05 62.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 60.299999999999997 111.113 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 40' ' ' LEU . 21.8 mt -74.61 -50.94 24.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 64.200000000000003 111.108 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.1 -31.38 69.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 63.399999999999999 110.943 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -80.85 -66.35 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 75.299999999999997 110.899 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -139.68 116.08 10.6 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.151 -0.477 . . . . 71.099999999999994 110.862 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -104.58 177.13 4.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 75.200000000000003 111.217 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -105.17 -53.63 2.63 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.87 0.367 . . . . 63.100000000000001 110.957 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 m -175.55 -176.62 0.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 33.100000000000001 110.874 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.06 -46.09 90.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.973 -0.558 . . . . 73.400000000000006 110.874 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.7 tttt -60.8 -39.97 90.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.287 -0.415 . . . . 62.100000000000001 110.791 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.5 -42.99 70.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 42.100000000000001 111.207 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.6 mtmm -60.21 -31.71 70.42 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.075 -0.511 . . . . 73.400000000000006 110.948 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -73.74 -43.15 59.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 65.200000000000003 110.855 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.29 -43.53 81.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.271 -0.422 . . . . 64.299999999999997 110.946 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.4 mt -69.5 -45.09 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 74.299999999999997 110.977 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.655 ' O ' HG23 ' A' ' 61' ' ' VAL . 43.1 ttp85 -66.82 -45.53 77.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 75.200000000000003 110.857 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.8 -33.64 66.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 52.5 111.024 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -74.2 -30.61 62.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 62.399999999999999 110.797 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 64.2 m -74.92 -34.02 62.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 73.099999999999994 110.855 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.971 HG22 HD22 ' B' ' 118' ' ' LEU . 21.6 t -65.72 -50.21 72.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 63.100000000000001 111.075 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -64.38 -31.49 72.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 70.299999999999997 110.925 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -71.07 -37.4 72.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 74.099999999999994 110.866 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.74 -46.46 90.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 75.200000000000003 110.912 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -60.72 -42.27 96.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 63.399999999999999 110.917 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.3 mtp180 -67.82 -43.51 79.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 61.299999999999997 110.857 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.6 ' O ' HD23 ' A' ' 29' ' ' LEU . . . -58.8 -49.87 76.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 53.200000000000003 111.16 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -59.78 -31.07 69.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 71.5 110.887 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -33.63 73.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 74.299999999999997 110.917 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.648 HD22 ' CD1' ' A' ' 25' ' ' TYR . 74.5 mt -68.22 -54.01 20.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 54.399999999999999 110.884 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -60.35 -35.16 75.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 74.299999999999997 110.926 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -67.06 -31.61 72.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 74.400000000000006 110.89 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -71.94 -37.14 70.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 75.299999999999997 110.721 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.508 HD13 ' OE1' ' A' ' 26' ' ' GLU . 8.9 mt -85.13 -31.9 23.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.902 0.382 . . . . 71.099999999999994 110.781 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.1 ttm-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 74.400000000000006 110.872 179.993 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . 0.602 ' HA ' HD21 ' B' ' 118' ' ' LEU . 3.2 tt0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.82 0.343 . . . . 71.299999999999997 110.904 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.61 -30.25 68.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 64.099999999999994 110.966 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -59.04 -60.45 3.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.426 . . . . 73.099999999999994 110.953 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.971 HD22 HG22 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -72.19 -30.35 64.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 61.0 110.931 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 39.9 t -60.23 -49.4 77.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 70.099999999999994 110.862 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -46.26 87.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.400000000000006 110.896 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -63.15 -31.38 72.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 64.200000000000003 110.899 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.17 -53.97 51.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 73.5 110.92 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.04 -31.32 69.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 70.200000000000003 111.101 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.99 -39.81 29.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 63.0 111.093 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.492 HD23 ' HG2' ' A' ' 33' ' ' GLN . 6.2 tp -61.84 -33.84 74.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 73.299999999999997 110.952 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.26 174.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 75.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.216 -0.897 . . . . 73.099999999999994 110.925 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.835 0.35 . . . . 74.200000000000003 110.876 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.89 -56.9 15.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 73.099999999999994 111.162 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -61.6 -45.8 92.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.415 . . . . 74.299999999999997 110.985 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -65.76 -32.11 73.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 74.400000000000006 110.69 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 5' ' ' THR . . . -64.83 -57.13 9.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 73.099999999999994 111.11 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.0 mt -61.62 -33.61 58.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 74.299999999999997 111.029 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -60.28 -39.29 86.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 71.099999999999994 110.904 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.602 HD23 HD23 ' A' ' 31' ' ' LEU . 6.0 mt -68.89 -37.42 78.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 71.400000000000006 110.924 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.529 HG11 ' CZ ' ' A' ' 63' ' ' TYR . 22.0 t -64.02 -50.1 78.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 75.299999999999997 111.118 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m -57.77 -34.88 70.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 73.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -73.85 -27.38 61.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 73.099999999999994 111.043 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.74 -40.76 24.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.332 -0.395 . . . . 63.0 111.045 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -44.98 94.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 70.099999999999994 110.705 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -69.24 -39.22 78.63 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.192 -0.458 . . . . 63.200000000000003 110.891 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -60.65 -55.86 28.19 Favored 'General case' 0 CA--C 1.524 -0.042 0 CA-C-N 115.973 -0.558 . . . . 61.200000000000003 111.051 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.635 ' OD2' HD11 ' A' ' 70' ' ' LEU . 7.3 t0 -57.29 -30.21 64.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.497 -0.32 . . . . 74.400000000000006 110.935 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -83.96 -27.48 28.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.979 -0.555 . . . . 64.299999999999997 111.073 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.29 32.97 2.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.139 -0.482 . . . . 64.0 111.32 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp 58.97 71.34 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 73.099999999999994 110.959 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -160.57 78.19 0.62 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.22 -0.445 . . . . 73.299999999999997 110.996 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' A' ' 73' ' ' TYR . 51.4 m-85 -75.1 -31.35 61.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.863 -0.608 . . . . 75.200000000000003 110.861 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.687 ' HG2' HD13 ' A' ' 74' ' ' LEU . 2.9 mt-10 -66.48 -48.33 70.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 75.200000000000003 110.866 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -71.54 -43.46 66.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 64.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.75 -44.22 93.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 72.200000000000003 111.133 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.536 HD23 ' O ' ' A' ' 29' ' ' LEU . 5.7 tt -60.26 -48.99 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 74.200000000000003 110.897 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -61.89 -50.57 71.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 65.5 110.906 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.602 HD23 HD23 ' A' ' 12' ' ' LEU . 16.2 mt -60.16 -31.5 70.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 71.200000000000003 110.903 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.805 ' O ' HG23 ' A' ' 36' ' ' VAL . 3.4 m-85 -68.85 -31.55 70.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 74.400000000000006 110.905 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -74.35 -49.31 23.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 73.099999999999994 110.924 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.404 ' HB2' HD22 ' A' ' 12' ' ' LEU . 4.8 m-70 -60.5 -42.1 95.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 61.200000000000003 110.895 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.486 ' HB2' ' CB ' ' A' ' 12' ' ' LEU . . . -60.0 -51.87 67.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 53.399999999999999 111.09 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 32' ' ' TYR . 27.8 t -63.23 -38.95 83.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 73.099999999999994 111.054 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -60.63 -37.47 81.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 72.200000000000003 110.899 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -73.42 -31.9 64.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 73.299999999999997 110.874 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -70.41 -46.77 63.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 74.400000000000006 110.922 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.2 mt -60.28 -38.38 83.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 73.299999999999997 110.875 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.484 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 2.8 t-80 -73.16 -31.41 64.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 74.099999999999994 110.906 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.94 -43.99 64.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 74.099999999999994 111.1 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.812 HD11 ' CG2' ' A' ' 56' ' ' ILE . 23.5 mt -77.25 -31.16 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 73.5 111.154 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -67.59 -41.93 83.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 72.099999999999994 110.853 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.484 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 6.0 m-85 -79.21 -37.2 38.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 71.200000000000003 110.938 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -150.71 128.26 11.48 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.188 -0.46 . . . . 64.299999999999997 111.032 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -129.06 143.1 50.75 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.271 -0.422 . . . . 70.099999999999994 111.134 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -68.21 -67.63 0.45 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.369 -0.378 . . . . 62.299999999999997 110.718 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.86 -177.76 6.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 64.299999999999997 110.697 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.8 -46.69 89.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 64.299999999999997 110.672 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 tttp -60.34 -52.58 64.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 62.200000000000003 110.92 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.443 ' O ' HD12 ' A' ' 56' ' ' ILE . . . -60.16 -43.4 95.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 54.100000000000001 110.868 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -59.95 -49.7 76.66 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.168 -0.469 . . . . 75.400000000000006 110.732 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.04 -29.47 67.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.874 0.369 . . . . 72.299999999999997 111.03 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 t -81.1 -49.28 11.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 44.5 110.775 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.812 ' CG2' HD11 ' A' ' 43' ' ' ILE . 5.5 mt -60.69 -38.11 77.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.376 -0.375 . . . . 62.5 110.833 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.9 ' O ' HG23 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -71.82 -37.35 70.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 72.5 110.838 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.417 ' N ' ' HG3' ' A' ' 57' ' ' ARG . . . -57.1 -41.05 78.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.958 0.409 . . . . 74.0 110.757 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.405 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 5.7 tttt -70.82 -34.55 71.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.973 -0.558 . . . . 51.100000000000001 110.494 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 76.9 m -69.82 -37.29 76.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 72.299999999999997 110.718 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.912 HG22 HD22 ' B' ' 118' ' ' LEU . 22.0 t -61.43 -45.81 97.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 63.0 110.979 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.59 -35.7 80.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 71.099999999999994 110.843 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.529 ' CZ ' HG11 ' A' ' 13' ' ' VAL . 18.9 m-85 -68.2 -33.07 73.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 74.200000000000003 110.88 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.776 HD13 ' O ' ' A' ' 64' ' ' LEU . 1.9 tm? -67.66 -34.79 77.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 64.400000000000006 110.861 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.61 -41.76 83.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 73.200000000000003 110.842 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.749 ' O ' HD13 ' A' ' 70' ' ' LEU . 4.9 ttt180 -60.09 -43.07 95.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 72.299999999999997 110.849 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.432 ' HB1' HD21 ' B' ' 125' ' ' LEU . . . -59.81 -50.63 73.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 73.299999999999997 111.036 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -58.69 -52.11 67.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 75.5 110.792 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.3 tttp -61.67 -30.96 71.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 74.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.749 HD13 ' O ' ' A' ' 66' ' ' ARG . 5.6 mp -71.16 -34.66 71.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 74.400000000000006 110.843 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.422 ' N ' HD12 ' A' ' 29' ' ' LEU . 1.2 ttpp -63.0 -46.21 88.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 73.200000000000003 110.872 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.58 -30.83 71.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 64.099999999999994 110.976 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' A' ' 25' ' ' TYR . 29.5 t80 -60.18 -45.4 93.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 74.299999999999997 110.849 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.687 HD13 ' HG2' ' A' ' 26' ' ' GLU . 5.1 mt -84.49 -31.4 24.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.214 -0.448 . . . . 74.400000000000006 110.926 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.082 -0.508 . . . . 74.400000000000006 111.018 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.825 0.345 . . . . 72.299999999999997 110.933 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -80.37 -25.45 39.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 72.299999999999997 111.096 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -57.26 -60.4 3.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.347 -0.388 . . . . 62.200000000000003 111.091 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.912 HD22 HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -72.47 -31.03 65.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 61.200000000000003 110.901 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 38.6 t -60.45 -48.31 82.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 70.400000000000006 110.885 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -63.6 -45.69 89.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 64.099999999999994 110.908 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 43.5 mtt-85 -63.84 -31.45 72.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 75.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.621 ' CD2' HD23 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -60.02 -54.0 51.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 74.5 110.953 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.42 -37.3 80.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 54.100000000000001 111.051 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.62 -34.39 74.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 64.299999999999997 111.132 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.432 HD21 ' HB1' ' A' ' 67' ' ' ALA . 1.6 tp -60.55 -43.24 97.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 64.400000000000006 110.85 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 15.4 mtm105 -71.3 135.37 47.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 63.200000000000003 110.88 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.206 -0.902 . . . . 53.5 110.936 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.83 0.347 . . . . 71.200000000000003 110.917 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.32 -48.57 27.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 70.400000000000006 110.878 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -60.42 -45.61 92.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 71.5 110.97 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -64.41 -31.56 72.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 73.400000000000006 110.889 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.648 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -61.59 -56.79 16.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 75.400000000000006 111.112 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.1 mt -62.72 -38.57 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 71.099999999999994 111.024 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.81 -46.09 90.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 74.200000000000003 111.168 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.756 ' CB ' ' HB2' ' A' ' 35' ' ' ALA . 25.1 mt -61.9 -40.45 95.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 71.400000000000006 110.854 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 9' ' ' ALA . 35.2 t -65.01 -44.01 96.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 71.400000000000006 111.026 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.5 m -54.93 -37.85 66.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 73.200000000000003 111.052 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.501 ' HB2' HD22 ' A' ' 31' ' ' LEU . 2.3 mmtp -72.49 -30.18 64.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 75.200000000000003 110.878 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.414 ' HB1' ' CD2' ' A' ' 32' ' ' TYR . . . -75.89 -42.82 48.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 54.399999999999999 111.015 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -38.23 83.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 52.299999999999997 110.599 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -72.66 -32.61 65.97 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.539 -0.3 . . . . 74.200000000000003 110.728 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -76.92 -48.56 17.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.643 0.258 . . . . 62.5 110.841 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.777 ' OD2' HD11 ' A' ' 70' ' ' LEU . 4.3 t0 -58.65 -30.43 67.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.561 -0.291 . . . . 74.400000000000006 110.988 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.1 -22.68 24.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 75.099999999999994 111.052 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.57 29.77 2.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.786 0.327 . . . . 52.299999999999997 111.319 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt 59.33 41.96 18.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 73.299999999999997 111.06 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -128.11 76.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.236 -0.438 . . . . 75.200000000000003 110.777 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.619 ' CD1' HD22 ' A' ' 70' ' ' LEU . 17.2 m-85 -73.12 -34.15 65.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 74.400000000000006 110.961 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -67.8 -38.24 83.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 72.5 110.863 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.588 ' O ' HD12 ' A' ' 31' ' ' LEU . 2.0 tp10 -82.96 -32.15 27.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 74.400000000000006 110.941 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.408 ' HB2' ' N ' ' A' ' 20' ' ' ASP . . . -74.32 -34.31 63.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 62.5 111.117 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.704 ' CD2' ' HB1' ' A' ' 67' ' ' ALA . 3.4 tm? -65.93 -55.56 16.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 61.299999999999997 110.962 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.3 ppt_? -59.37 -33.21 70.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 73.0 110.963 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.588 HD12 ' O ' ' A' ' 27' ' ' GLU . 33.0 mt -75.74 -31.39 59.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 62.299999999999997 110.965 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.864 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.2 m-85 -73.89 -48.56 30.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 71.299999999999997 110.93 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -59.56 -37.8 79.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 64.5 110.963 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.571 ' HB3' HD22 ' A' ' 12' ' ' LEU . 3.1 t60 -64.2 -43.3 95.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 74.200000000000003 110.926 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.756 ' HB2' ' CB ' ' A' ' 12' ' ' LEU . . . -71.51 -45.11 63.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 52.299999999999997 111.134 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 32' ' ' TYR . 31.2 t -61.12 -37.72 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 62.200000000000003 111.106 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -40.12 94.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 71.200000000000003 110.894 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -71.05 -33.56 70.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 62.100000000000001 110.885 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.529 ' CZ ' ' HB1' ' A' ' 9' ' ' ALA . 2.6 m-85 -60.43 -54.11 49.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 63.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.666 ' HA ' HD12 ' A' ' 43' ' ' ILE . 44.9 mt -60.13 -35.79 76.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 74.400000000000006 110.882 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -61.09 -31.38 71.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 72.5 110.941 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.8 -29.98 45.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 74.400000000000006 111.132 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.707 HD11 HG22 ' A' ' 56' ' ' ILE . 21.6 mt -74.11 -32.01 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 61.299999999999997 111.08 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -32.12 40.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 72.200000000000003 110.958 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -80.44 -75.01 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.299999999999997 110.892 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -130.78 123.17 28.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 74.400000000000006 110.799 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.543 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -119.81 173.86 6.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.077 -0.511 . . . . 74.099999999999994 111.323 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -90.93 -48.79 6.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.988 -0.551 . . . . 75.400000000000006 110.914 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.28 179.6 1.21 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.317 -0.402 . . . . 50.200000000000003 111.231 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.5 -51.41 69.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.953 0.406 . . . . 75.099999999999994 110.865 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.6 tttm -59.99 -52.31 65.94 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.066 -0.516 . . . . 74.200000000000003 110.699 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.83 -44.12 94.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 44.200000000000003 111.036 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.543 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 2.1 mtmp? -59.73 -42.57 93.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.01 -0.541 . . . . 63.100000000000001 110.868 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.68 -31.59 70.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.382 -0.372 . . . . 64.5 110.882 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.5 t -69.7 -35.69 75.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.198 -0.456 . . . . 64.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.707 HG22 HD11 ' A' ' 43' ' ' ILE . 29.9 mt -73.07 -30.92 33.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 71.400000000000006 111.058 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.777 ' O ' HG23 ' A' ' 61' ' ' VAL . 3.5 mpp_? -72.32 -50.08 29.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 71.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.04 -45.34 75.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 71.299999999999997 111.137 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.574 ' HE2' HG23 ' A' ' 56' ' ' ILE . 14.5 pttt -64.93 -32.49 74.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 62.200000000000003 110.758 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 52.9 m -73.4 -43.46 60.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 71.299999999999997 110.913 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.949 HG22 HD22 ' B' ' 118' ' ' LEU . 21.4 t -58.63 -37.87 67.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 62.299999999999997 111.12 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -70.78 -36.26 72.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 71.299999999999997 110.895 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -67.16 -32.04 72.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 72.299999999999997 110.923 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.504 HD21 ' HB3' ' B' ' 121' ' ' ARG . 0.6 OUTLIER -72.81 -35.74 67.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 74.200000000000003 110.875 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.41 -54.37 46.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 54.100000000000001 110.849 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -43.65 95.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 72.5 110.856 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.704 ' HB1' ' CD2' ' A' ' 29' ' ' LEU . . . -58.19 -45.67 87.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 61.100000000000001 111.072 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -56.89 -35.39 68.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 73.099999999999994 110.746 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -78.59 -28.92 45.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.037 -0.528 . . . . 65.299999999999997 111.032 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.777 HD11 ' OD2' ' A' ' 20' ' ' ASP . 31.8 mt -66.01 -49.04 69.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.352 -0.386 . . . . 74.200000000000003 110.82 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -65.31 -43.22 91.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 73.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.48 -31.2 71.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 75.099999999999994 110.892 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -64.71 -53.31 49.32 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 121.109 0.48 . . . . 74.099999999999994 111.242 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.0 mt -66.76 -31.53 72.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.963 -0.562 . . . . 75.200000000000003 110.942 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 . . . . . 0 C--N 1.322 -0.589 0 CA-C-O 121.034 0.445 . . . . 45.399999999999999 111.1 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . 0.477 ' HA ' HD21 ' B' ' 118' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.786 0.327 . . . . 73.200000000000003 110.882 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -74.7 -41.08 60.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 62.5 110.912 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -57.01 10.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 63.399999999999999 110.907 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.949 HD22 HG22 ' A' ' 61' ' ' VAL . 3.8 pp -60.16 -36.89 78.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 70.099999999999994 110.903 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 6.0 m -63.21 -40.0 96.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 73.200000000000003 110.911 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 55.1 ttt-85 -60.47 -41.64 94.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 61.299999999999997 110.907 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . 0.504 ' HB3' HD21 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -60.39 -40.38 90.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 64.299999999999997 110.906 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.509 ' CD1' HG12 ' A' ' 36' ' ' VAL . 1.6 tt -60.32 -44.44 95.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 75.099999999999994 110.914 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.99 93.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 54.5 111.114 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.34 -31.11 70.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 61.399999999999999 111.131 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' B' ' 125' ' ' LEU . 8.2 tp -60.25 -58.02 10.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 74.5 110.892 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.03 -31.71 72.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 74.400000000000006 110.886 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.22 -0.895 . . . . 74.400000000000006 110.936 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.8 m . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.865 0.364 . . . . 64.200000000000003 110.838 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.436 ' O ' HD12 ' A' ' 10' ' ' ILE . 4.5 mm? -63.9 -46.1 86.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 75.400000000000006 110.923 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -48.32 82.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 33.299999999999997 110.946 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -64.77 -31.65 72.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 72.200000000000003 110.721 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.1 -56.45 12.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 74.299999999999997 111.161 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.436 HD12 ' O ' ' A' ' 6' ' ' LEU . 3.8 mt -59.23 -35.31 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 65.099999999999994 111.058 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -59.35 -42.39 91.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 75.099999999999994 110.864 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.723 HD22 ' CB ' ' A' ' 34' ' ' HIS . 5.2 mt -64.63 -36.42 84.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.502 . . . . 63.299999999999997 110.872 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.463 HG11 ' CZ ' ' A' ' 63' ' ' TYR . 25.8 t -66.09 -48.82 80.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 51.200000000000003 111.06 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.78 -26.8 66.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 75.200000000000003 111.004 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.711 ' CB ' HD22 ' A' ' 31' ' ' LEU . 9.8 mmmt -76.15 -32.46 59.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 74.099999999999994 110.838 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.573 ' HB1' ' CE2' ' A' ' 32' ' ' TYR . . . -76.27 -44.44 37.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 44.100000000000001 111.14 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 18' ' ' GLU . 10.9 t -60.08 -46.62 88.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 73.5 110.935 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.437 ' N ' HG23 ' A' ' 17' ' ' THR . 12.5 pt-20 -59.75 -45.35 92.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 75.0 110.707 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.86 -30.28 70.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 73.299999999999997 110.67 179.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.84 -34.56 77.58 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.865 -0.607 . . . . 74.299999999999997 110.932 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.04 -24.19 23.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 70.400000000000006 111.244 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.65 25.34 4.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.156 -0.475 . . . . 65.200000000000003 111.334 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.8 mttt 54.71 68.17 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.482 -0.326 . . . . 70.099999999999994 111.066 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -143.07 60.94 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.913 0.387 . . . . 64.400000000000006 110.858 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.663 ' HA ' HD22 ' A' ' 70' ' ' LEU . 13.8 m-85 -64.64 -31.48 72.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 61.100000000000001 110.854 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -71.28 -36.29 71.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.779 0.324 . . . . 74.400000000000006 110.853 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -83.0 -45.97 13.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 72.299999999999997 110.956 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.79 -30.49 65.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 53.200000000000003 111.218 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.533 HD11 ' HB2' ' A' ' 71' ' ' LYS . 4.8 tt -63.26 -56.37 17.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.413 . . . . 73.299999999999997 110.905 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -59.31 -34.58 72.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 72.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.711 HD22 ' CB ' ' A' ' 15' ' ' LYS . 9.5 mt -72.59 -31.18 64.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 65.5 110.897 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.573 ' CE2' ' HB1' ' A' ' 16' ' ' ALA . 6.8 m-85 -73.08 -45.47 57.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 74.400000000000006 110.913 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.784 ' OE1' HD23 ' B' ' 125' ' ' LEU . 16.4 mt-30 -59.5 -38.87 82.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 74.099999999999994 110.93 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.723 ' CB ' HD22 ' A' ' 12' ' ' LEU . 42.9 m-70 -66.88 -44.37 81.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 74.200000000000003 110.904 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.11 -57.48 12.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 54.0 111.101 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.896 HG11 HD12 ' A' ' 64' ' ' LEU . 21.6 t -59.6 -41.15 84.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 63.0 111.091 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -60.25 -50.29 74.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 74.200000000000003 110.88 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -63.45 -31.44 72.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 64.200000000000003 110.877 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -69.28 -43.03 74.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 75.099999999999994 110.916 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.858 ' HA ' HD12 ' A' ' 43' ' ' ILE . 85.7 mt -60.2 -35.59 75.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 75.400000000000006 110.891 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -74.36 -31.25 62.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 64.299999999999997 110.893 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.75 -30.84 67.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 63.100000000000001 111.15 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.858 HD12 ' HA ' ' A' ' 40' ' ' LEU . 6.0 mt -71.86 -54.96 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 71.099999999999994 111.061 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -31.52 70.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 72.200000000000003 110.926 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -76.94 -74.47 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 50.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -134.83 121.62 20.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 73.299999999999997 110.666 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -118.32 150.82 38.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.101 -0.499 . . . . 51.200000000000003 111.008 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -68.14 -66.75 0.53 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.048 -0.524 . . . . 75.400000000000006 111.038 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 p -160.75 -177.52 6.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.082 -0.508 . . . . 51.299999999999997 110.982 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -64.77 -47.98 76.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.951 0.405 . . . . 64.200000000000003 111.039 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -60.52 -45.73 92.73 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.991 -0.55 . . . . 64.299999999999997 111.039 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.518 ' O ' HD12 ' A' ' 56' ' ' ILE . . . -63.9 -40.76 97.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 74.299999999999997 111.127 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -60.39 -31.5 70.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.969 -0.56 . . . . 73.299999999999997 110.744 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -71.41 -39.17 71.27 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.278 -0.419 . . . . 73.299999999999997 110.884 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.4 t -71.03 -46.2 62.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 64.299999999999997 110.798 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 52' ' ' ALA . 4.5 mt -62.37 -31.29 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 51.299999999999997 111.007 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.594 ' O ' HG23 ' A' ' 61' ' ' VAL . 20.6 mtp180 -65.63 -51.06 62.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 72.400000000000006 110.878 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.04 -32.97 66.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 71.200000000000003 111.103 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -71.45 -30.77 66.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 110.847 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 70.8 m -79.52 -46.26 17.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 74.400000000000006 110.898 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.954 HG22 HD22 ' B' ' 118' ' ' LEU . 21.8 t -58.86 -31.57 45.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 73.099999999999994 111.131 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -78.18 -41.55 34.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 74.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.463 ' CZ ' HG11 ' A' ' 13' ' ' VAL . 9.4 m-85 -71.17 -31.73 68.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 74.200000000000003 110.889 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.896 HD12 HG11 ' A' ' 36' ' ' VAL . 2.4 tt -70.34 -40.79 73.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 62.299999999999997 110.866 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -65.74 -34.4 78.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 72.299999999999997 110.912 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -67.79 -39.7 84.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 74.299999999999997 110.885 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.748 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -59.64 -50.51 73.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 53.399999999999999 111.128 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.474 ' HA ' HD11 ' B' ' 125' ' ' LEU . 6.9 pt-20 -60.21 -31.8 70.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 72.200000000000003 110.905 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 57.3 tttt -66.97 -40.84 87.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 72.5 110.93 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.748 HD12 ' HA ' ' A' ' 67' ' ' ALA . 4.1 mt -64.82 -31.89 73.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 71.200000000000003 110.904 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.533 ' HB2' HD11 ' A' ' 29' ' ' LEU . 8.3 tttt -66.16 -44.21 84.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 73.400000000000006 110.885 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.63 -31.27 66.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 74.099999999999994 110.875 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.5 ' CE1' ' CE2' ' A' ' 25' ' ' TYR . 12.8 t80 -60.31 -42.33 95.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.971 -0.559 . . . . 72.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.5 mt -83.74 -40.6 18.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.154 -0.475 . . . . 75.099999999999994 110.985 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 63.299999999999997 111.178 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . 0.622 ' HA ' HD21 ' B' ' 118' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.769 0.318 . . . . 75.400000000000006 110.879 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -69.88 -30.09 67.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 64.299999999999997 110.984 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -59.06 -60.36 4.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 74.099999999999994 110.955 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.954 HD22 HG22 ' A' ' 61' ' ' VAL . 1.0 OUTLIER -71.85 -29.68 64.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 72.099999999999994 110.954 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 38.2 t -60.98 -41.81 97.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 43.100000000000001 110.926 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 26.1 mtm180 -70.83 -43.0 69.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 63.100000000000001 110.877 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -60.59 -31.95 71.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 71.200000000000003 110.904 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.409 ' HB2' HD11 ' A' ' 64' ' ' LEU . 1.4 tt -70.3 -43.31 70.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 61.399999999999999 110.864 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.07 -31.3 69.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 73.200000000000003 111.074 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.67 -34.47 53.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 64.299999999999997 111.078 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.784 HD23 ' OE1' ' A' ' 33' ' ' GLN . 3.4 tp -64.34 -46.33 83.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 74.200000000000003 110.916 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.74 -31.72 52.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 72.400000000000006 110.864 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 38.1 t30 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.213 -0.898 . . . . 71.299999999999997 110.874 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.5 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.804 0.335 . . . . 73.099999999999994 110.871 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.475 ' O ' HD12 ' A' ' 10' ' ' ILE . 4.4 mm? -73.49 -47.93 37.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 74.099999999999994 110.905 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -60.34 -39.89 88.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.221 -0.445 . . . . 75.400000000000006 110.783 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -72.17 -37.85 69.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 63.200000000000003 110.882 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.14 -47.13 84.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 73.200000000000003 111.082 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.475 HD12 ' O ' ' A' ' 6' ' ' LEU . 4.6 mt -63.55 -49.43 82.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 53.5 111.079 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.47 -31.2 69.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 70.400000000000006 110.927 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.424 ' HB3' ' HB2' ' A' ' 35' ' ' ALA . 27.5 mt -71.1 -51.1 27.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 62.399999999999999 110.894 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.627 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 11.8 p -66.75 -34.75 72.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 74.299999999999997 111.14 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 73.6 m -59.2 -55.54 33.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 70.299999999999997 110.893 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 mttp -60.69 -31.31 70.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 72.5 110.887 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.546 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -67.07 -41.27 86.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 72.0 111.106 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.21 -43.11 96.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 62.0 110.724 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -62.15 -39.43 92.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.938 0.399 . . . . 72.400000000000006 110.844 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.89 -51.72 68.8 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.244 -0.435 . . . . 74.299999999999997 110.846 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -57.74 -29.93 65.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 54.299999999999997 111.075 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -78.99 -26.25 43.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.389 -0.368 . . . . 63.399999999999999 110.871 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.05 29.46 3.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.75 0.31 . . . . 74.299999999999997 111.257 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 mttt 59.01 36.68 24.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 73.299999999999997 111.062 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -121.55 77.52 1.35 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.22 -0.446 . . . . 72.200000000000003 110.933 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.489 ' CD1' HD22 ' A' ' 70' ' ' LEU . 24.7 m-85 -74.7 -31.29 61.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.019 -0.537 . . . . 73.200000000000003 110.92 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.45 ' N ' HD11 ' A' ' 74' ' ' LEU . 5.6 tp10 -62.64 -52.03 64.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.394 -0.366 . . . . 74.099999999999994 110.808 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -71.31 -41.1 70.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 72.099999999999994 110.892 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.01 -46.26 90.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 51.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.549 HD13 ' C ' ' A' ' 29' ' ' LEU . 3.5 tm? -59.71 -46.38 89.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 61.100000000000001 110.848 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.0 mmt-85 -60.1 -48.9 79.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 70.099999999999994 110.955 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.546 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 11.2 mt -70.71 -31.29 68.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 64.099999999999994 110.974 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.507 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.2 m-85 -59.88 -60.81 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 74.5 110.915 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.644 ' HB3' HD23 ' B' ' 125' ' ' LEU . 3.7 pt20 -59.62 -31.21 69.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 75.0 110.932 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -67.95 -40.82 83.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 71.299999999999997 110.938 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.507 ' HB2' ' N ' ' A' ' 13' ' ' VAL . . . -68.69 -37.06 79.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 71.299999999999997 111.102 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 32' ' ' TYR . 24.9 t -73.78 -35.49 43.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 73.099999999999994 111.131 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.619 ' HG2' HD21 ' B' ' 122' ' ' LEU . 1.5 tm-20 -60.04 -44.1 94.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 75.099999999999994 110.907 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -69.7 -34.81 74.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 72.400000000000006 110.903 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -60.3 -50.62 72.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 73.299999999999997 110.869 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.513 ' CD1' HD13 ' B' ' 122' ' ' LEU . 75.5 mt -59.14 -40.86 86.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 62.200000000000003 110.928 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -60.19 -31.17 69.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 71.5 110.874 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.95 -33.66 66.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 75.099999999999994 111.134 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.963 HD11 HG21 ' A' ' 56' ' ' ILE . 31.7 mt -71.37 -51.48 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 61.5 111.115 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.425 ' HE3' ' CD1' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -60.1 -35.89 76.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 74.099999999999994 110.936 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.425 ' CD1' ' HE3' ' A' ' 44' ' ' LYS . 4.5 m-85 -75.39 -31.58 60.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 60.5 110.864 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -165.53 154.9 12.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 55.100000000000001 110.858 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.13 132.72 5.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.131 -0.486 . . . . 65.299999999999997 111.289 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -63.55 -74.72 0.09 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 64.200000000000003 110.672 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.9 m -144.67 -178.23 5.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.295 -0.411 . . . . 52.299999999999997 111.107 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -64.97 -37.97 89.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.341 -0.391 . . . . 65.299999999999997 110.899 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -60.11 -52.63 64.51 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.262 -0.426 . . . . 75.200000000000003 110.71 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.84 -42.81 94.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 64.400000000000006 111.219 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -60.53 -33.01 72.02 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 121.024 0.44 . . . . 73.299999999999997 111.075 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -64.89 -43.41 93.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.092 -0.504 . . . . 71.299999999999997 110.929 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.0 t -60.4 -37.8 81.96 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.964 -0.562 . . . . 73.299999999999997 111.172 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.963 HG21 HD11 ' A' ' 43' ' ' ILE . 32.3 mt -71.42 -35.86 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 116.34 -0.391 . . . . 75.5 110.991 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -61.83 -55.38 30.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 74.200000000000003 110.857 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.495 ' HA ' HG12 ' A' ' 61' ' ' VAL . . . -59.84 -30.73 69.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 61.0 111.088 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 63' ' ' TYR . 6.5 ttmt -74.76 -31.64 61.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 70.200000000000003 110.751 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 99.8 m -80.62 -45.68 16.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 71.200000000000003 110.897 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 58' ' ' ALA . 12.4 p -58.47 -38.33 69.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 74.5 111.102 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -72.35 -40.57 67.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 64.400000000000006 110.836 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.627 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 2.9 m-85 -64.81 -32.28 73.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 63.399999999999999 110.857 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.413 ' CD1' HG11 ' A' ' 36' ' ' VAL . 1.9 mp -72.11 -36.02 69.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 75.299999999999997 110.799 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.44 -52.44 65.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 55.399999999999999 110.892 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -41.33 97.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 63.399999999999999 110.847 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.411 ' HB1' ' CD2' ' A' ' 29' ' ' LEU . . . -57.53 -45.68 84.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 55.100000000000001 111.059 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -58.97 -37.14 76.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 74.099999999999994 110.754 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.29 -30.4 54.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.067 -0.515 . . . . 73.200000000000003 111.065 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.489 HD22 ' CD1' ' A' ' 25' ' ' TYR . 27.9 mt -69.21 -53.03 22.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 73.5 110.865 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -60.89 -37.92 83.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 61.399999999999999 110.902 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -73.66 -30.42 62.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 71.200000000000003 110.91 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.457 ' CE1' ' CE2' ' A' ' 25' ' ' TYR . 46.3 t80 -59.87 -45.37 92.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.099 -0.5 . . . . 74.5 110.893 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.45 HD11 ' N ' ' A' ' 26' ' ' GLU . 4.0 mt -76.19 -31.56 58.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.114 -0.494 . . . . 74.200000000000003 110.994 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 116.219 -0.446 . . . . 65.400000000000006 110.88 -179.933 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . 0.565 ' HA ' HD21 ' B' ' 118' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.831 0.348 . . . . 61.100000000000001 110.911 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -67.22 -30.26 70.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 75.099999999999994 110.923 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -59.35 -60.43 3.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 71.200000000000003 110.944 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.58 HD23 ' H ' ' B' ' 118' ' ' LEU . 0.8 OUTLIER -72.93 -30.84 64.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 62.100000000000001 110.937 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 40.1 t -60.21 -47.29 86.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 75.200000000000003 110.872 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 11.7 mtt85 -67.42 -39.14 85.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 63.200000000000003 110.884 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -66.19 -36.99 84.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 75.200000000000003 110.851 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.619 HD21 ' HG2' ' A' ' 37' ' ' GLU . 7.8 tt -60.92 -45.56 94.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 74.200000000000003 110.889 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.2 -53.53 56.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 70.200000000000003 111.095 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.87 -30.14 68.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 73.299999999999997 111.106 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.644 HD23 ' HB3' ' A' ' 33' ' ' GLN . 5.5 tp -59.54 -50.88 72.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.422 . . . . 71.299999999999997 110.965 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 4.7 ptt-85 -79.65 -30.93 41.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 71.299999999999997 110.91 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.254 -0.879 . . . . 63.200000000000003 110.889 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.9 m . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 120.8 0.333 . . . . 72.200000000000003 110.827 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.26 -44.57 75.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 61.299999999999997 110.878 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -30.98 70.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 72.200000000000003 111.201 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -81.9 -38.35 25.44 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.134 -0.485 . . . . 63.299999999999997 111.158 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.14 87.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 73.400000000000006 111.117 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.0 mt -77.46 -43.67 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 44.399999999999999 111.135 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -59.55 -31.59 69.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 75.400000000000006 110.912 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.82 HD22 ' HB3' ' A' ' 34' ' ' HIS . 16.5 mt -71.82 -56.13 6.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 63.5 110.918 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.702 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 11.7 p -59.78 -35.12 58.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 73.5 111.098 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.7 m -60.19 -47.1 87.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 75.0 110.821 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.7 mttt -65.85 -33.68 76.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 64.299999999999997 110.881 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.516 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -66.98 -31.3 71.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 70.200000000000003 111.052 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.74 -50.65 48.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 71.200000000000003 110.779 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -61.5 -32.98 73.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 73.299999999999997 111.074 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -54.75 42.01 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 115.894 -0.594 . . . . 70.400000000000006 111.001 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -57.8 -30.55 65.78 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.241 -0.436 . . . . 72.5 110.713 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -76.59 -27.47 55.82 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.053 -0.521 . . . . 75.0 110.937 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.57 29.39 3.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.44 -0.345 . . . . 70.299999999999997 111.098 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt 58.85 38.27 24.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.419 . . . . 73.400000000000006 110.929 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -122.26 79.2 1.57 Allowed 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.221 -0.445 . . . . 72.299999999999997 110.874 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.492 ' CE2' ' CE1' ' A' ' 73' ' ' TYR . 26.4 m-85 -77.47 -35.36 53.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.413 -0.358 . . . . 75.0 110.744 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.503 ' CA ' HD11 ' A' ' 74' ' ' LEU . 1.5 tt0 -67.7 -33.11 74.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.828 0.347 . . . . 62.200000000000003 110.862 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -83.01 -34.81 26.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 73.299999999999997 110.851 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.56 -38.03 86.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 55.399999999999999 111.132 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.709 HD23 ' O ' ' A' ' 29' ' ' LEU . 3.2 tt -60.23 -38.14 82.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 62.100000000000001 110.906 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.1 mtp180 -65.0 -54.95 22.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 64.5 110.869 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.516 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 3.8 mm? -60.26 -31.83 70.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 73.400000000000006 110.904 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.798 ' O ' HG23 ' A' ' 36' ' ' VAL . 5.4 m-85 -70.44 -31.52 68.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 65.099999999999994 110.875 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.553 ' HG2' HD23 ' B' ' 125' ' ' LEU . 23.7 mt-30 -72.2 -54.09 10.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 72.5 110.91 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.82 ' HB3' HD22 ' A' ' 12' ' ' LEU . 1.9 t-160 -60.24 -40.4 90.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 45.100000000000001 110.937 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.474 ' HB2' ' CB ' ' A' ' 12' ' ' LEU . . . -59.67 -53.94 52.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 75.299999999999997 111.113 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.977 HG11 HD23 ' A' ' 64' ' ' LEU . 28.5 t -63.54 -36.49 76.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 52.299999999999997 111.047 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -60.42 -48.2 82.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 74.400000000000006 110.867 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -65.52 -31.71 72.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 74.200000000000003 110.899 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -62.77 -50.77 69.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 62.399999999999999 110.896 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.1 mt -60.34 -33.14 71.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 75.299999999999997 110.875 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -78.18 -31.75 49.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 74.299999999999997 110.913 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.18 -40.81 74.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 61.100000000000001 111.034 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.475 HD11 ' CG2' ' A' ' 56' ' ' ILE . 23.5 mt -77.56 -31.19 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 71.5 111.091 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.7 tttp -72.01 -34.34 68.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 70.299999999999997 110.872 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -83.93 -33.12 24.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 73.400000000000006 110.9 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -157.01 137.67 13.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 71.299999999999997 110.779 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.48 174.21 10.84 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.151 -0.477 . . . . 74.5 111.126 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.456 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 2.2 t-80 -104.28 -65.55 1.02 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 71.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.1 -176.71 4.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 53.399999999999999 110.775 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -48.89 78.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.927 -0.579 . . . . 73.0 110.834 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -60.16 -52.94 63.2 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.119 -0.491 . . . . 65.099999999999994 110.832 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.456 ' HB3' ' HB3' ' A' ' 48' ' ' HIS . . . -59.8 -45.09 93.41 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.181 0.515 . . . . 72.400000000000006 111.125 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -60.52 -31.7 70.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 72.5 110.926 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -63.46 -47.4 82.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.248 -0.433 . . . . 72.400000000000006 110.922 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.3 m -60.49 -42.03 95.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 65.299999999999997 111.112 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.475 ' CG2' HD11 ' A' ' 43' ' ' ILE . 31.8 mt -71.43 -33.67 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-O 120.816 0.341 . . . . 74.099999999999994 110.938 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.613 ' O ' HG23 ' A' ' 61' ' ' VAL . 9.6 mtm180 -68.37 -51.75 40.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 75.299999999999997 110.876 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.95 -34.99 68.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 74.099999999999994 111.064 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -70.19 -30.74 67.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 65.200000000000003 110.848 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 79.3 m -78.85 -46.27 18.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 55.299999999999997 110.922 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.703 HG22 HD22 ' B' ' 118' ' ' LEU . 21.8 t -58.52 -31.03 42.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 72.0 111.143 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -77.13 -41.06 43.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 55.399999999999999 110.87 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.702 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 10.5 m-85 -68.91 -34.97 76.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 73.200000000000003 110.864 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.977 HD23 HG11 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -67.48 -42.24 83.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 73.099999999999994 110.899 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -61.04 -39.03 88.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 110.839 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.9 mtp85 -66.1 -33.74 76.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 62.5 110.935 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.454 ' HA ' HD12 ' A' ' 70' ' ' LEU . . . -62.27 -51.66 66.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 61.200000000000003 111.098 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.401 ' HA ' HD11 ' B' ' 125' ' ' LEU . 6.3 pt-20 -60.17 -31.52 70.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 61.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -67.21 -39.33 86.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 63.200000000000003 110.917 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 67' ' ' ALA . 11.1 mt -67.13 -34.93 78.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 65.099999999999994 110.903 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.589 ' HB2' HD11 ' A' ' 29' ' ' LEU . 2.6 tttm -63.57 -44.74 93.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 65.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -64.6 -31.48 72.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 63.5 110.877 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.492 ' CE1' ' CE2' ' A' ' 25' ' ' TYR . 38.7 t80 -60.27 -52.52 64.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 70.299999999999997 110.991 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.503 HD11 ' CA ' ' A' ' 26' ' ' GLU . 5.1 mt -73.74 -40.34 63.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.041 -0.527 . . . . 72.0 110.954 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 116.216 -0.447 . . . . 71.299999999999997 110.804 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . 0.641 ' HA ' HD21 ' B' ' 118' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.826 0.346 . . . . 72.299999999999997 110.914 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -70.05 -30.18 67.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 63.299999999999997 110.975 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -59.08 -60.37 3.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 71.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.703 HD22 HG22 ' A' ' 61' ' ' VAL . 0.9 OUTLIER -71.59 -29.85 65.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 71.299999999999997 110.949 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' SER . . . . . . . . . . . . . 44.6 t -64.82 -39.8 94.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 71.400000000000006 110.892 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -68.74 -45.75 70.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 74.299999999999997 110.899 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -60.32 -31.63 70.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 71.099999999999994 110.912 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.651 ' HG ' HD21 ' A' ' 64' ' ' LEU . 2.0 tt -66.3 -48.02 71.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 62.299999999999997 110.905 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.98 -35.03 74.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 73.099999999999994 111.071 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.86 -31.72 61.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 73.299999999999997 111.079 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.553 HD23 ' HG2' ' A' ' 33' ' ' GLN . 5.7 tp -68.6 -58.04 4.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 65.299999999999997 110.913 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -31.5 72.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 63.299999999999997 110.896 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.221 -0.895 . . . . 75.400000000000006 110.901 -179.977 . . . . . . . . 0 0 . 1 stop_ save_