data_2nal_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 2nal _Structure_validation_residue.Date_analyzed 2017-01-13 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 ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.891 0.376 . . . . 61.11 110.929 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -121.2 -43.13 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 70.31 110.82 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.94 -46.41 82.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 71.41 110.848 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -52.15 -31.18 30.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 74.4 110.891 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mp -89.37 -36.08 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 73.43 111.139 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.81 -50.81 43.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 70.14 110.859 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -52.69 -27.03 15.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 71.22 110.906 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -82.92 -31.71 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 71.41 111.142 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.6 mt -61.55 -57.65 11.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 72.32 111.121 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.7 mmm-85 59.73 31.03 20.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.875 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 73.14 110.909 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.806 0.336 . . . . 72.54 110.92 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -122.13 -44.35 2.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.909 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -56.8 -46.55 81.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 72.14 110.85 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -52.31 -31.19 31.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 75.22 110.842 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mp -89.44 -35.83 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 65.02 111.109 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.76 -50.8 43.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 75.53 110.89 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -52.61 -26.95 15.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 73.42 110.885 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.31 -31.68 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 75.33 111.14 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.6 mt -61.47 -58.41 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 73.52 111.143 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 59.81 30.95 20.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 75.33 110.855 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 71.13 110.941 179.911 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.836 0.35 . . . . 70.13 110.908 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -122.21 -44.75 2.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 73.31 110.917 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -56.93 -46.66 81.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 74.31 110.841 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -52.0 -31.0 27.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 72.14 110.874 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mp -89.38 -35.91 8.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 71.42 111.13 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.71 -50.78 42.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 72.4 110.894 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -52.61 -27.06 15.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 72.55 110.941 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.27 -31.66 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 70.22 111.158 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.6 mt -61.34 -58.49 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 74.44 111.134 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.6 mmm-85 59.79 29.59 19.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 72.12 110.892 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.1 mptt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 75.1 110.875 179.957 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.798 0.332 . . . . 73.23 110.927 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -120.79 -44.36 2.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 71.54 110.93 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -57.7 -43.68 85.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 71.44 110.889 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt -53.67 -31.04 46.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 73.23 110.901 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mp -89.41 -35.32 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 74.45 111.14 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -49.88 -50.73 44.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 74.11 110.825 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -52.71 -26.85 15.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 71.4 110.907 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.42 -31.61 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 73.53 111.11 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.3 mt -61.56 -58.52 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 75.14 111.127 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 59.92 30.81 20.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 73.43 110.863 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 74.1 110.837 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.852 0.358 . . . . 73.3 110.912 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -121.66 -44.14 2.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 64.22 110.846 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.51 -46.89 80.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 74.02 110.878 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -51.66 -30.97 23.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 73.42 110.941 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mp -89.4 -36.14 8.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 73.43 111.173 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.86 -50.8 44.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 71.33 110.849 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -52.61 -27.26 16.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 71.02 110.888 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -82.7 -32.3 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 74.52 111.141 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.9 mt -60.73 -57.35 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 71.42 111.128 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 59.48 31.6 21.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 75.44 110.893 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 72.04 110.848 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 pt? . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.847 0.356 . . . . 73.13 110.892 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -121.69 -49.06 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 73.31 110.898 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -51.09 -47.23 61.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 54.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.73 -31.18 25.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 74.22 110.908 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mp -89.42 -36.33 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 72.35 111.139 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.81 -50.71 44.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 73.32 110.901 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -52.61 -26.93 14.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 75.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.37 -31.76 8.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 75.13 111.139 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.2 mt -61.38 -58.5 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 72.34 111.168 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 59.89 30.72 20.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 75.41 110.892 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.7 mptt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 74.01 110.862 -179.949 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.86 0.362 . . . . 73.52 110.93 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -134.54 -57.14 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 72.03 110.912 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.0 -48.55 64.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 72.44 110.869 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -54.19 -27.33 33.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 72.11 110.914 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.0 mp -89.44 -36.02 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 74.33 111.11 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.85 -50.81 44.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 74.04 110.858 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -52.74 -26.98 15.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 74.12 110.95 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -82.85 -31.67 9.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 70.23 111.154 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.6 mt -61.61 -57.53 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 75.32 111.112 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.3 mmm-85 59.77 31.43 20.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 71.24 110.87 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 72.34 110.875 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 pt? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.838 0.351 . . . . 75.42 110.883 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -132.71 -50.83 0.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 75.35 110.878 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.04 -48.98 77.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 74.34 110.873 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -53.93 -27.65 32.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 75.44 110.908 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.0 mp -89.45 -35.94 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 74.44 111.105 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.89 -50.79 44.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 74.1 110.833 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -52.7 -26.97 15.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 73.13 110.916 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -82.99 -31.61 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 75.01 111.161 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.7 mt -61.7 -57.5 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 73.52 111.16 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 59.75 31.05 20.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 75.43 110.825 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 72.32 110.931 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.846 0.355 . . . . 75.41 110.882 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -134.48 -57.33 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 73.33 110.859 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.01 -48.6 64.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 52.42 110.85 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -54.48 -27.04 35.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 74.34 110.893 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.0 mp -89.44 -35.38 7.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 70.15 111.159 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -49.74 -50.83 42.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 74.44 110.872 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -52.68 -27.04 15.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 73.12 110.895 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.24 -31.57 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 63.53 111.17 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.7 mt -61.52 -58.3 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 75.13 111.129 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.7 mmm-85 59.86 29.51 19.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 75.04 110.859 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.0 mptt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 75.25 110.924 179.956 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.801 0.334 . . . . 71.13 110.87 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -133.69 -53.86 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 75.51 110.882 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.8 -49.03 69.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.53 110.851 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp -54.63 -26.77 34.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 74.33 110.905 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.0 mp -89.41 -36.86 9.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 75.25 111.124 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.86 -50.92 43.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 74.35 110.822 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -52.67 -27.05 15.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 74.12 110.941 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -82.81 -31.61 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 74.23 111.104 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.4 mt -61.67 -57.58 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 75.32 111.108 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.4 mmm-85 59.82 31.18 20.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 72.23 110.875 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 74.24 110.858 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.863 0.364 . . . . 75.04 110.954 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -121.06 -45.07 2.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 75.43 110.877 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.6 -43.29 84.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 72.01 110.851 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -54.0 -31.55 51.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 74.41 110.843 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mp -89.37 -36.05 8.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 74.25 111.141 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.81 -50.81 43.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 75.13 110.852 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -52.65 -27.19 16.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 73.35 110.899 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -82.7 -31.95 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 70.25 111.127 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.2 mt -61.26 -57.57 11.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 73.43 111.13 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.2 mmm-85 59.72 29.45 19.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 75.12 110.876 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 71.42 110.928 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.877 0.37 . . . . 75.01 110.923 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -122.47 -51.15 1.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 73.31 110.834 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.87 -45.08 70.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 74.4 110.893 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -51.79 -30.6 23.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 75.12 110.897 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mp -89.22 -32.61 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 72.41 111.118 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.69 -51.03 41.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 73.02 110.873 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -52.7 -26.79 14.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 70.44 110.924 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -85.23 -30.75 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 75.23 111.105 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.2 mt -60.14 -59.18 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 74.34 111.13 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.3 mmm-85 59.56 31.32 20.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 75.3 110.848 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 72.24 110.893 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.866 0.365 . . . . 71.11 110.921 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -123.75 -46.24 2.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 75.15 110.898 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -55.91 -47.36 77.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 64.31 110.841 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -51.79 -30.43 22.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 75.32 110.895 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mp -89.5 -34.51 6.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 75.42 111.115 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -49.51 -50.7 40.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 75.35 110.827 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -52.6 -26.56 13.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 75.13 110.903 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -85.83 -30.75 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 74.3 111.107 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.3 mt -61.07 -61.1 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 74.34 111.167 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 60.17 18.63 7.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 73.53 110.849 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 mptt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 74.21 110.935 179.98 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.809 0.338 . . . . 73.42 110.948 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -133.14 -54.83 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 75.41 110.9 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.36 -49.09 65.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 63.42 110.902 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp -54.38 -27.09 34.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.929 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.0 mp -89.41 -35.53 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 74.03 111.15 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -50.84 43.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 73.2 110.883 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -52.71 -27.14 16.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 75.21 110.901 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -82.79 -31.67 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 75.33 111.146 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.2 mt -61.47 -57.62 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 74.35 111.106 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.6 mmm-85 59.8 29.14 18.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 72.53 110.891 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 74.41 110.857 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.838 0.352 . . . . 70.22 110.906 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -120.69 -44.45 2.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 74.41 110.868 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -57.48 -43.44 84.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 73.41 110.886 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm -53.92 -31.77 51.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 72.35 110.893 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.0 mp -89.37 -36.26 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 72.24 111.167 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.87 -50.72 44.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 73.15 110.89 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -52.67 -26.9 15.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 72.15 110.959 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.0 -31.67 9.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 61.11 111.111 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.6 mt -62.01 -57.88 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 73.42 111.16 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.3 mmm-85 60.11 23.63 12.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 73.3 110.858 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 75.24 110.886 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.1 mmt-85 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.833 0.349 . . . . 75.41 110.863 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -96.64 -18.66 19.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 61.11 110.929 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -121.2 -43.13 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 70.31 110.82 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.94 -46.41 82.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 71.41 110.848 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -52.15 -31.18 30.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 74.4 110.891 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mp -89.37 -36.08 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 73.43 111.139 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.81 -50.81 43.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 70.14 110.859 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -52.69 -27.03 15.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 71.22 110.906 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -82.92 -31.71 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 71.41 111.142 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.6 mt -61.55 -57.65 11.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 72.32 111.121 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.7 mmm-85 59.73 31.03 20.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.875 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 73.14 110.909 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.0 mmt85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.865 0.364 . . . . 75.24 110.832 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.6 -20.62 18.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 72.54 110.92 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -122.13 -44.35 2.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.909 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -56.8 -46.55 81.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 72.14 110.85 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -52.31 -31.19 31.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 75.22 110.842 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mp -89.44 -35.83 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 65.02 111.109 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.76 -50.8 43.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 75.53 110.89 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -52.61 -26.95 15.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 73.42 110.885 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.31 -31.68 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 75.33 111.14 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.6 mt -61.47 -58.41 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 73.52 111.143 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 59.81 30.95 20.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 75.33 110.855 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 71.13 110.941 179.911 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.87 0.367 . . . . 74.51 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.58 -20.68 18.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 70.13 110.908 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -122.21 -44.75 2.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 73.31 110.917 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -56.93 -46.66 81.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 74.31 110.841 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -52.0 -31.0 27.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 72.14 110.874 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mp -89.38 -35.91 8.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 71.42 111.13 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.71 -50.78 42.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 72.4 110.894 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -52.61 -27.06 15.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 72.55 110.941 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.27 -31.66 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 70.22 111.158 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.6 mt -61.34 -58.49 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 74.44 111.134 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.6 mmm-85 59.79 29.59 19.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 72.12 110.892 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.1 mptt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 75.1 110.875 179.957 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.864 0.364 . . . . 75.35 110.869 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -95.76 -20.63 18.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 73.23 110.927 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -120.79 -44.36 2.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 71.54 110.93 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -57.7 -43.68 85.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 71.44 110.889 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt -53.67 -31.04 46.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 73.23 110.901 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mp -89.41 -35.32 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 74.45 111.14 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -49.88 -50.73 44.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 74.11 110.825 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -52.71 -26.85 15.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 71.4 110.907 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.42 -31.61 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 73.53 111.11 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.3 mt -61.56 -58.52 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 75.14 111.127 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 59.92 30.81 20.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 73.43 110.863 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 74.1 110.837 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.83 0.348 . . . . 74.21 110.897 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.49 -18.67 19.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 73.3 110.912 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -121.66 -44.14 2.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 64.22 110.846 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.51 -46.89 80.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 74.02 110.878 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -51.66 -30.97 23.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 73.42 110.941 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mp -89.4 -36.14 8.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 73.43 111.173 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.86 -50.8 44.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 71.33 110.849 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -52.61 -27.26 16.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 71.02 110.888 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -82.7 -32.3 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 74.52 111.141 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.9 mt -60.73 -57.35 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 71.42 111.128 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 59.48 31.6 21.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 75.44 110.893 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 72.04 110.848 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.834 0.35 . . . . 75.11 110.889 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -97.19 -12.3 23.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 73.13 110.892 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -121.69 -49.06 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 73.31 110.898 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -51.09 -47.23 61.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 54.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.73 -31.18 25.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 74.22 110.908 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mp -89.42 -36.33 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 72.35 111.139 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.81 -50.71 44.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 73.32 110.901 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -52.61 -26.93 14.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 75.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.37 -31.76 8.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 75.13 111.139 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.2 mt -61.38 -58.5 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 72.34 111.168 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 59.89 30.72 20.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 75.41 110.892 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.7 mptt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 74.01 110.862 -179.949 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.82 0.343 . . . . 75.34 110.845 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -83.1 1.3 40.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 73.52 110.93 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -134.54 -57.14 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 72.03 110.912 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.0 -48.55 64.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 72.44 110.869 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -54.19 -27.33 33.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 72.11 110.914 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.0 mp -89.44 -36.02 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 74.33 111.11 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.85 -50.81 44.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 74.04 110.858 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -52.74 -26.98 15.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 74.12 110.95 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -82.85 -31.67 9.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 70.23 111.154 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.6 mt -61.61 -57.53 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 75.32 111.112 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.3 mmm-85 59.77 31.43 20.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 71.24 110.87 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 72.34 110.875 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.855 0.36 . . . . 74.34 110.833 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -96.73 -2.15 45.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.883 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -132.71 -50.83 0.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 75.35 110.878 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.04 -48.98 77.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 74.34 110.873 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -53.93 -27.65 32.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 75.44 110.908 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.0 mp -89.45 -35.94 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 74.44 111.105 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.89 -50.79 44.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 74.1 110.833 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -52.7 -26.97 15.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 73.13 110.916 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -82.99 -31.61 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 75.01 111.161 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.7 mt -61.7 -57.5 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 73.52 111.16 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 59.75 31.05 20.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 75.43 110.825 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 72.32 110.931 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.88 0.372 . . . . 75.13 110.881 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -82.85 0.99 41.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 75.41 110.882 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -134.48 -57.33 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 73.33 110.859 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.01 -48.6 64.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 52.42 110.85 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -54.48 -27.04 35.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 74.34 110.893 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.0 mp -89.44 -35.38 7.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 70.15 111.159 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -49.74 -50.83 42.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 74.44 110.872 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -52.68 -27.04 15.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 73.12 110.895 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.24 -31.57 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 63.53 111.17 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.7 mt -61.52 -58.3 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 75.13 111.129 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.7 mmm-85 59.86 29.51 19.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 75.04 110.859 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.0 mptt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 75.25 110.924 179.956 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.852 0.358 . . . . 74.33 110.834 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -96.65 2.29 52.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 71.13 110.87 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -133.69 -53.86 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 75.51 110.882 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.8 -49.03 69.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.53 110.851 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp -54.63 -26.77 34.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 74.33 110.905 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.0 mp -89.41 -36.86 9.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 75.25 111.124 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.86 -50.92 43.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 74.35 110.822 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -52.67 -27.05 15.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 74.12 110.941 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -82.81 -31.61 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 74.23 111.104 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.4 mt -61.67 -57.58 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 75.32 111.108 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.4 mmm-85 59.82 31.18 20.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 72.23 110.875 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 74.24 110.858 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.857 0.361 . . . . 73.1 110.888 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.41 -22.06 17.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 75.04 110.954 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -121.06 -45.07 2.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 75.43 110.877 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.6 -43.29 84.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 72.01 110.851 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -54.0 -31.55 51.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 74.41 110.843 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mp -89.37 -36.05 8.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 74.25 111.141 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.81 -50.81 43.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 75.13 110.852 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -52.65 -27.19 16.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 73.35 110.899 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -82.7 -31.95 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 70.25 111.127 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.2 mt -61.26 -57.57 11.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 73.43 111.13 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.2 mmm-85 59.72 29.45 19.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 75.12 110.876 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 71.42 110.928 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.86 0.362 . . . . 75.03 110.9 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -96.63 -18.11 19.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 75.01 110.923 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -122.47 -51.15 1.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 73.31 110.834 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.87 -45.08 70.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 74.4 110.893 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -51.79 -30.6 23.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 75.12 110.897 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mp -89.22 -32.61 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 72.41 111.118 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.69 -51.03 41.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 73.02 110.873 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -52.7 -26.79 14.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 70.44 110.924 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -85.23 -30.75 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 75.23 111.105 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.2 mt -60.14 -59.18 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 74.34 111.13 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.3 mmm-85 59.56 31.32 20.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 75.3 110.848 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 72.24 110.893 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.233 0.184 0 CA-C-O 120.823 0.344 . . . . 71.32 110.886 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -96.51 -17.97 20.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 71.11 110.921 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -123.75 -46.24 2.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 75.15 110.898 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -55.91 -47.36 77.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 64.31 110.841 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -51.79 -30.43 22.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 75.32 110.895 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.9 mp -89.5 -34.51 6.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 75.42 111.115 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -49.51 -50.7 40.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 75.35 110.827 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -52.6 -26.56 13.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 75.13 110.903 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -85.83 -30.75 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 74.3 111.107 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.3 mt -61.07 -61.1 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 74.34 111.167 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 60.17 18.63 7.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 73.53 110.849 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 mptt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 74.21 110.935 179.98 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.822 0.344 . . . . 75.51 110.873 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -96.24 2.18 52.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 73.42 110.948 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -133.14 -54.83 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 75.41 110.9 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.36 -49.09 65.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 63.42 110.902 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp -54.38 -27.09 34.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.929 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.0 mp -89.41 -35.53 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 74.03 111.15 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -50.84 43.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 73.2 110.883 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -52.71 -27.14 16.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 75.21 110.901 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -82.79 -31.67 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 75.33 111.146 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.2 mt -61.47 -57.62 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 74.35 111.106 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.6 mmm-85 59.8 29.14 18.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 72.53 110.891 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 74.41 110.857 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.865 0.364 . . . . 74.24 110.924 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.9 -21.84 18.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 70.22 110.906 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -120.69 -44.45 2.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 74.41 110.868 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -57.48 -43.44 84.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 73.41 110.886 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm -53.92 -31.77 51.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 72.35 110.893 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.0 mp -89.37 -36.26 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 72.24 111.167 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.87 -50.72 44.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 73.15 110.89 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -52.67 -26.9 15.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 72.15 110.959 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.0 -31.67 9.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 61.11 111.111 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.6 mt -62.01 -57.88 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 73.42 111.16 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.3 mmm-85 60.11 23.63 12.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 73.3 110.858 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 75.24 110.886 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.891 0.376 . . . . 53.210000000000001 110.929 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -121.2 -43.13 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 63.210000000000001 110.82 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.94 -46.41 82.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 71.409999999999997 110.848 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -52.15 -31.18 30.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 74.400000000000006 110.891 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.421 HD12 ' N ' ' A' ' 6' ' ' ILE . 4.9 mp -89.37 -36.08 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 72.310000000000002 111.139 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.81 -50.81 43.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 62.229999999999997 110.859 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -52.69 -27.03 15.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 71.219999999999999 110.906 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -82.92 -31.71 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 63.409999999999997 111.142 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.6 mt -61.55 -57.65 11.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 72.319999999999993 111.121 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.7 mmm-85 59.73 31.03 20.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 72.239999999999995 110.875 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 73.140000000000001 110.909 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.806 0.336 . . . . 72.540000000000006 110.92 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -122.13 -44.35 2.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 74.319999999999993 110.909 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -56.8 -46.55 81.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 72.140000000000001 110.85 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -52.31 -31.19 31.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 71.299999999999997 110.842 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.421 HD12 ' N ' ' A' ' 6' ' ' ILE . 4.9 mp -89.44 -35.83 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 62.310000000000002 111.109 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.76 -50.8 43.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 75.530000000000001 110.89 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -52.61 -26.95 15.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 73.420000000000002 110.885 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.31 -31.68 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 72.230000000000004 111.14 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.544 HG22 ' HB2' ' A' ' 12' ' ' LYS . 21.6 mt -61.47 -58.41 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 71.400000000000006 111.143 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 59.81 30.95 20.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 75.329999999999998 110.855 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.544 ' HB2' HG22 ' A' ' 10' ' ' ILE . 2.8 mptp? . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 70.420000000000002 110.941 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.836 0.35 . . . . 65.530000000000001 110.908 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -122.21 -44.75 2.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 73.310000000000002 110.917 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -56.93 -46.66 81.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 71.299999999999997 110.841 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -52.0 -31.0 27.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 72.140000000000001 110.874 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.421 HD12 ' N ' ' A' ' 6' ' ' ILE . 4.9 mp -89.38 -35.91 8.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 71.420000000000002 111.13 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.71 -50.78 42.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 72.400000000000006 110.894 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -52.61 -27.06 15.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 72.549999999999997 110.941 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.27 -31.66 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 61.020000000000003 111.158 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.548 HG22 ' HB2' ' A' ' 12' ' ' LYS . 21.6 mt -61.34 -58.49 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 72.219999999999999 111.134 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.6 mmm-85 59.79 29.59 19.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 71.109999999999999 110.892 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.548 ' HB2' HG22 ' A' ' 10' ' ' ILE . 11.1 mptt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 72.239999999999995 110.875 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.798 0.332 . . . . 63.0 110.927 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -120.79 -44.36 2.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 71.540000000000006 110.93 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -57.7 -43.68 85.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 71.439999999999998 110.889 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt -53.67 -31.04 46.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 73.230000000000004 110.901 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.418 HD12 ' N ' ' A' ' 6' ' ' ILE . 4.9 mp -89.41 -35.32 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 74.019999999999996 111.14 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -49.88 -50.73 44.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 74.109999999999999 110.825 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -52.71 -26.85 15.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 71.400000000000006 110.907 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.42 -31.61 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 73.530000000000001 111.11 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.547 HG22 ' HB2' ' A' ' 12' ' ' LYS . 21.3 mt -61.56 -58.52 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 64.299999999999997 111.127 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 59.92 30.81 20.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 72.120000000000005 110.863 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.547 ' HB2' HG22 ' A' ' 10' ' ' ILE . 2.3 mptp? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 51.210000000000001 110.837 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.852 0.358 . . . . 54.210000000000001 110.912 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -121.66 -44.14 2.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 64.219999999999999 110.846 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.51 -46.89 80.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 74.019999999999996 110.878 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -51.66 -30.97 23.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 71.209999999999994 110.941 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 6' ' ' ILE . 4.9 mp -89.4 -36.14 8.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 72.510000000000005 111.173 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.86 -50.8 44.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 71.329999999999998 110.849 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -52.61 -27.26 16.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 70.349999999999994 110.888 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -82.7 -32.3 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 70.010000000000005 111.141 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.9 mt -60.73 -57.35 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 54.109999999999999 111.128 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 59.48 31.6 21.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 75.439999999999998 110.893 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 62.130000000000003 110.848 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 pt? . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.847 0.356 . . . . 72.25 110.892 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -121.69 -49.06 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 73.310000000000002 110.898 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -51.09 -47.23 61.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 41.340000000000003 110.877 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.73 -31.18 25.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 74.109999999999999 110.908 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.418 HD12 ' N ' ' A' ' 6' ' ' ILE . 4.9 mp -89.42 -36.33 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 72.329999999999998 111.139 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.81 -50.71 44.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 65.540000000000006 110.901 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -52.61 -26.93 14.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 65.329999999999998 110.934 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.37 -31.76 8.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 74.430000000000007 111.139 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.559 HG22 ' HB2' ' A' ' 12' ' ' LYS . 21.2 mt -61.38 -58.5 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 72.340000000000003 111.168 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 59.89 30.72 20.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 72.200000000000003 110.892 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.559 ' HB2' HG22 ' A' ' 10' ' ' ILE . 10.7 mptt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 74.010000000000005 110.862 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.86 0.362 . . . . 71.430000000000007 110.93 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -134.54 -57.14 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 72.030000000000001 110.912 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.0 -48.55 64.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 72.439999999999998 110.869 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -54.19 -27.33 33.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 65.239999999999995 110.914 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 6' ' ' ILE . 5.0 mp -89.44 -36.02 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 64.340000000000003 111.11 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.85 -50.81 44.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 54.240000000000002 110.858 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -52.74 -26.98 15.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 63.329999999999998 110.95 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -82.85 -31.67 9.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 63.530000000000001 111.154 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.6 mt -61.61 -57.53 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 75.319999999999993 111.112 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.3 mmm-85 59.77 31.43 20.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 55.450000000000003 110.87 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 72.340000000000003 110.875 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.432 ' O ' HD13 ' A' ' 6' ' ' ILE . 1.2 pt? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.838 0.351 . . . . 71.310000000000002 110.883 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -132.71 -50.83 0.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 75.349999999999994 110.878 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.04 -48.98 77.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 74.340000000000003 110.873 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -53.93 -27.65 32.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 75.439999999999998 110.908 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.432 HD13 ' O ' ' A' ' 2' ' ' LEU . 5.0 mp -89.45 -35.94 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 74.439999999999998 111.105 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.89 -50.79 44.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 72.310000000000002 110.833 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -52.7 -26.97 15.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 73.129999999999995 110.916 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -82.99 -31.61 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 62.420000000000002 111.161 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.7 mt -61.7 -57.5 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 70.530000000000001 111.16 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 59.75 31.05 20.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 71.420000000000002 110.825 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 72.319999999999993 110.931 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.416 ' O ' HD13 ' A' ' 6' ' ' ILE . 1.8 pt? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.846 0.355 . . . . 75.409999999999997 110.882 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -134.48 -57.33 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 71.109999999999999 110.859 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.01 -48.6 64.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 50.549999999999997 110.85 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -54.48 -27.04 35.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 73.450000000000003 110.893 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.416 HD13 ' O ' ' A' ' 2' ' ' LEU . 5.0 mp -89.44 -35.38 7.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 53.219999999999999 111.159 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -49.74 -50.83 42.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 64.209999999999994 110.872 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -52.68 -27.04 15.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 61.25 110.895 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.24 -31.57 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 63.530000000000001 111.17 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.541 HG22 ' HB2' ' A' ' 12' ' ' LYS . 21.7 mt -61.52 -58.3 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 70.319999999999993 111.129 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.7 mmm-85 59.86 29.51 19.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 65.200000000000003 110.859 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.541 ' HB2' HG22 ' A' ' 10' ' ' ILE . 10.0 mptt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 74.310000000000002 110.924 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.439 ' O ' HD13 ' A' ' 6' ' ' ILE . 1.6 pt? . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.801 0.334 . . . . 64.439999999999998 110.87 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -133.69 -53.86 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 74.530000000000001 110.882 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.8 -49.03 69.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.530000000000001 110.851 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp -54.63 -26.77 34.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 74.329999999999998 110.905 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.439 HD13 ' O ' ' A' ' 2' ' ' LEU . 5.0 mp -89.41 -36.86 9.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 74.519999999999996 111.124 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.86 -50.92 43.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 74.349999999999994 110.822 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -52.67 -27.05 15.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 64.209999999999994 110.941 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -82.81 -31.61 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 63.140000000000001 111.104 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.4 mt -61.67 -57.58 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 75.319999999999993 111.108 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.4 mmm-85 59.82 31.18 20.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 62.229999999999997 110.875 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 72.200000000000003 110.858 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.863 0.364 . . . . 75.040000000000006 110.954 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -121.06 -45.07 2.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 75.430000000000007 110.877 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.6 -43.29 84.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 72.010000000000005 110.851 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -54.0 -31.55 51.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 74.409999999999997 110.843 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 6' ' ' ILE . 4.9 mp -89.37 -36.05 8.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 74.25 111.141 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.81 -50.81 43.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 75.129999999999995 110.852 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -52.65 -27.19 16.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 73.109999999999999 110.899 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -82.7 -31.95 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 65.549999999999997 111.127 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.2 mt -61.26 -57.57 11.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 54.049999999999997 111.13 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.2 mmm-85 59.72 29.45 19.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 75.120000000000005 110.876 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 63.130000000000003 110.928 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.877 0.37 . . . . 75.010000000000005 110.923 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -122.47 -51.15 1.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 73.200000000000003 110.834 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.87 -45.08 70.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 74.400000000000006 110.893 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -51.79 -30.6 23.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 75.120000000000005 110.897 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.425 ' N ' HD12 ' A' ' 6' ' ' ILE . 4.9 mp -89.22 -32.61 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 72.409999999999997 111.118 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.69 -51.03 41.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 64.319999999999993 110.873 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -52.7 -26.79 14.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 70.439999999999998 110.924 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -85.23 -30.75 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 70.230000000000004 111.105 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.2 mt -60.14 -59.18 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 73.239999999999995 111.13 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.3 mmm-85 59.56 31.32 20.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 53.340000000000003 110.848 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 72.239999999999995 110.893 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.866 0.365 . . . . 71.109999999999999 110.921 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -123.75 -46.24 2.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 71.430000000000007 110.898 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -55.91 -47.36 77.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 64.310000000000002 110.841 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -51.79 -30.43 22.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 73.239999999999995 110.895 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 6' ' ' ILE . 4.9 mp -89.5 -34.51 6.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 71.239999999999995 111.115 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -49.51 -50.7 40.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 75.349999999999994 110.827 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -52.6 -26.56 13.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 75.129999999999995 110.903 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -85.83 -30.75 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 74.299999999999997 111.107 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.676 HG22 ' H ' ' A' ' 12' ' ' LYS . 28.3 mt -61.07 -61.1 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 74.340000000000003 111.167 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 60.17 18.63 7.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 73.530000000000001 110.849 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.676 ' H ' HG22 ' A' ' 10' ' ' ILE . 1.9 mptt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 65.040000000000006 110.935 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.434 ' O ' HD13 ' A' ' 6' ' ' ILE . 1.6 pt? . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.809 0.338 . . . . 73.420000000000002 110.948 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -133.14 -54.83 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 75.409999999999997 110.9 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.36 -49.09 65.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 63.420000000000002 110.902 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp -54.38 -27.09 34.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 74.310000000000002 110.929 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.434 HD13 ' O ' ' A' ' 2' ' ' LEU . 5.0 mp -89.41 -35.53 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 74.030000000000001 111.15 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -50.84 43.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 70.530000000000001 110.883 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -52.71 -27.14 16.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 62.43 110.901 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -82.79 -31.67 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 73.25 111.146 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.2 mt -61.47 -57.62 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 73.129999999999995 111.106 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.6 mmm-85 59.8 29.14 18.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 71.150000000000006 110.891 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 62.210000000000001 110.857 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.838 0.352 . . . . 61.130000000000003 110.906 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -120.69 -44.45 2.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 74.409999999999997 110.868 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -57.48 -43.44 84.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 45.399999999999999 110.886 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm -53.92 -31.77 51.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 72.349999999999994 110.893 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.421 HD12 ' N ' ' A' ' 6' ' ' ILE . 5.0 mp -89.37 -36.26 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 72.239999999999995 111.167 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.87 -50.72 44.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 73.150000000000006 110.89 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -52.67 -26.9 15.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 72.150000000000006 110.959 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.0 -31.67 9.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 61.109999999999999 111.111 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.6 mt -62.01 -57.88 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 72.420000000000002 111.16 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.3 mmm-85 60.11 23.63 12.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 73.209999999999994 110.858 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 75.239999999999995 110.886 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.1 mmt-85 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.833 0.349 . . . . 71.140000000000001 110.863 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.475 ' H ' HD23 ' A' ' 2' ' ' LEU . 0.9 OUTLIER -96.64 -18.66 19.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 53.210000000000001 110.929 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -121.2 -43.13 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 63.210000000000001 110.82 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.94 -46.41 82.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 71.409999999999997 110.848 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -52.15 -31.18 30.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 74.400000000000006 110.891 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.421 HD12 ' N ' ' A' ' 6' ' ' ILE . 4.9 mp -89.37 -36.08 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 72.310000000000002 111.139 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.81 -50.81 43.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 62.229999999999997 110.859 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -52.69 -27.03 15.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 71.219999999999999 110.906 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -82.92 -31.71 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 63.409999999999997 111.142 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.6 mt -61.55 -57.65 11.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 72.319999999999993 111.121 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.7 mmm-85 59.73 31.03 20.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 72.239999999999995 110.875 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 73.140000000000001 110.909 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.0 mmt85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.865 0.364 . . . . 63.130000000000003 110.832 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.524 ' H ' HD23 ' A' ' 2' ' ' LEU . 1.0 OUTLIER -96.6 -20.62 18.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 72.540000000000006 110.92 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -122.13 -44.35 2.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 74.319999999999993 110.909 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -56.8 -46.55 81.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 72.140000000000001 110.85 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -52.31 -31.19 31.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 71.299999999999997 110.842 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.421 HD12 ' N ' ' A' ' 6' ' ' ILE . 4.9 mp -89.44 -35.83 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 62.310000000000002 111.109 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.76 -50.8 43.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 75.530000000000001 110.89 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -52.61 -26.95 15.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 73.420000000000002 110.885 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.31 -31.68 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 72.230000000000004 111.14 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.544 HG22 ' HB2' ' A' ' 12' ' ' LYS . 21.6 mt -61.47 -58.41 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 71.400000000000006 111.143 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 59.81 30.95 20.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 75.329999999999998 110.855 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.544 ' HB2' HG22 ' A' ' 10' ' ' ILE . 2.8 mptp? . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 70.420000000000002 110.941 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.87 0.367 . . . . 74.510000000000005 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.474 ' H ' HD23 ' A' ' 2' ' ' LEU . 0.8 OUTLIER -96.58 -20.68 18.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 65.530000000000001 110.908 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -122.21 -44.75 2.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 73.310000000000002 110.917 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -56.93 -46.66 81.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 71.299999999999997 110.841 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -52.0 -31.0 27.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 72.140000000000001 110.874 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.421 HD12 ' N ' ' A' ' 6' ' ' ILE . 4.9 mp -89.38 -35.91 8.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 71.420000000000002 111.13 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.71 -50.78 42.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 72.400000000000006 110.894 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -52.61 -27.06 15.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 72.549999999999997 110.941 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.27 -31.66 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 61.020000000000003 111.158 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.548 HG22 ' HB2' ' A' ' 12' ' ' LYS . 21.6 mt -61.34 -58.49 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 72.219999999999999 111.134 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.6 mmm-85 59.79 29.59 19.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 71.109999999999999 110.892 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.548 ' HB2' HG22 ' A' ' 10' ' ' ILE . 11.1 mptt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 72.239999999999995 110.875 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.864 0.364 . . . . 74.439999999999998 110.869 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.545 ' H ' HD23 ' A' ' 2' ' ' LEU . 1.1 pt? -95.76 -20.63 18.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 63.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -120.79 -44.36 2.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 71.540000000000006 110.93 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -57.7 -43.68 85.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 71.439999999999998 110.889 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt -53.67 -31.04 46.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 73.230000000000004 110.901 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.418 HD12 ' N ' ' A' ' 6' ' ' ILE . 4.9 mp -89.41 -35.32 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 74.019999999999996 111.14 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -49.88 -50.73 44.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 74.109999999999999 110.825 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -52.71 -26.85 15.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 71.400000000000006 110.907 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.42 -31.61 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 73.530000000000001 111.11 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.547 HG22 ' HB2' ' A' ' 12' ' ' LYS . 21.3 mt -61.56 -58.52 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 64.299999999999997 111.127 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 59.92 30.81 20.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 72.120000000000005 110.863 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.547 ' HB2' HG22 ' A' ' 10' ' ' ILE . 2.3 mptp? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 51.210000000000001 110.837 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.83 0.348 . . . . 74.209999999999994 110.897 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.508 ' H ' HD23 ' A' ' 2' ' ' LEU . 1.0 OUTLIER -96.49 -18.67 19.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 54.210000000000001 110.912 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -121.66 -44.14 2.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 64.219999999999999 110.846 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.51 -46.89 80.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 74.019999999999996 110.878 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -51.66 -30.97 23.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 71.209999999999994 110.941 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 6' ' ' ILE . 4.9 mp -89.4 -36.14 8.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 72.510000000000005 111.173 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.86 -50.8 44.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 71.329999999999998 110.849 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -52.61 -27.26 16.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 70.349999999999994 110.888 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -82.7 -32.3 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 70.010000000000005 111.141 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.9 mt -60.73 -57.35 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 54.109999999999999 111.128 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 59.48 31.6 21.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 75.439999999999998 110.893 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 62.130000000000003 110.848 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.834 0.35 . . . . 70.200000000000003 110.889 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.579 ' H ' HD23 ' A' ' 2' ' ' LEU . 1.3 pt? -97.19 -12.3 23.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 72.25 110.892 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -121.69 -49.06 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 73.310000000000002 110.898 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -51.09 -47.23 61.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 41.340000000000003 110.877 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.73 -31.18 25.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 74.109999999999999 110.908 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.418 HD12 ' N ' ' A' ' 6' ' ' ILE . 4.9 mp -89.42 -36.33 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 72.329999999999998 111.139 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.81 -50.71 44.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 65.540000000000006 110.901 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -52.61 -26.93 14.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 65.329999999999998 110.934 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.37 -31.76 8.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 74.430000000000007 111.139 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.559 HG22 ' HB2' ' A' ' 12' ' ' LYS . 21.2 mt -61.38 -58.5 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 72.340000000000003 111.168 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 59.89 30.72 20.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 72.200000000000003 110.892 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.559 ' HB2' HG22 ' A' ' 10' ' ' ILE . 10.7 mptt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 74.010000000000005 110.862 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.82 0.343 . . . . 73.140000000000001 110.845 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -83.1 1.3 40.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 71.430000000000007 110.93 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -134.54 -57.14 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 72.030000000000001 110.912 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.0 -48.55 64.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 72.439999999999998 110.869 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -54.19 -27.33 33.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 65.239999999999995 110.914 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 6' ' ' ILE . 5.0 mp -89.44 -36.02 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 64.340000000000003 111.11 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.85 -50.81 44.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 54.240000000000002 110.858 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -52.74 -26.98 15.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 63.329999999999998 110.95 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -82.85 -31.67 9.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 63.530000000000001 111.154 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.6 mt -61.61 -57.53 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 75.319999999999993 111.112 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.3 mmm-85 59.77 31.43 20.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 55.450000000000003 110.87 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 72.340000000000003 110.875 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.855 0.36 . . . . 64.530000000000001 110.833 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.56 ' H ' HD23 ' A' ' 2' ' ' LEU . 1.2 pt? -96.73 -2.15 45.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 71.310000000000002 110.883 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -132.71 -50.83 0.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 75.349999999999994 110.878 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.04 -48.98 77.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 74.340000000000003 110.873 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -53.93 -27.65 32.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 75.439999999999998 110.908 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.432 HD13 ' O ' ' A' ' 2' ' ' LEU . 5.0 mp -89.45 -35.94 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 74.439999999999998 111.105 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.89 -50.79 44.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 72.310000000000002 110.833 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -52.7 -26.97 15.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 73.129999999999995 110.916 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -82.99 -31.61 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 62.420000000000002 111.161 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.7 mt -61.7 -57.5 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 70.530000000000001 111.16 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 59.75 31.05 20.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 71.420000000000002 110.825 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 72.319999999999993 110.931 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.88 0.372 . . . . 73.209999999999994 110.881 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.416 ' O ' HD13 ' A' ' 6' ' ' ILE . 1.8 pt? -82.85 0.99 41.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 75.409999999999997 110.882 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -134.48 -57.33 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 71.109999999999999 110.859 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.01 -48.6 64.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 50.549999999999997 110.85 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -54.48 -27.04 35.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 73.450000000000003 110.893 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.416 HD13 ' O ' ' A' ' 2' ' ' LEU . 5.0 mp -89.44 -35.38 7.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 53.219999999999999 111.159 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -49.74 -50.83 42.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 64.209999999999994 110.872 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -52.68 -27.04 15.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 61.25 110.895 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.24 -31.57 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 63.530000000000001 111.17 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.541 HG22 ' HB2' ' A' ' 12' ' ' LYS . 21.7 mt -61.52 -58.3 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 70.319999999999993 111.129 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.7 mmm-85 59.86 29.51 19.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 65.200000000000003 110.859 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.541 ' HB2' HG22 ' A' ' 10' ' ' ILE . 10.0 mptt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 74.310000000000002 110.924 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.852 0.358 . . . . 74.329999999999998 110.834 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.439 ' O ' HD13 ' A' ' 6' ' ' ILE . 1.6 pt? -96.65 2.29 52.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 64.439999999999998 110.87 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -133.69 -53.86 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 74.530000000000001 110.882 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.8 -49.03 69.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.530000000000001 110.851 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp -54.63 -26.77 34.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 74.329999999999998 110.905 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.439 HD13 ' O ' ' A' ' 2' ' ' LEU . 5.0 mp -89.41 -36.86 9.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 74.519999999999996 111.124 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.86 -50.92 43.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 74.349999999999994 110.822 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -52.67 -27.05 15.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 64.209999999999994 110.941 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -82.81 -31.61 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 63.140000000000001 111.104 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.4 mt -61.67 -57.58 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 75.319999999999993 111.108 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.4 mmm-85 59.82 31.18 20.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 62.229999999999997 110.875 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 72.200000000000003 110.858 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.857 0.361 . . . . 73.099999999999994 110.888 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.426 ' H ' HD23 ' A' ' 2' ' ' LEU . 0.7 OUTLIER -96.41 -22.06 17.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 75.040000000000006 110.954 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -121.06 -45.07 2.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 75.430000000000007 110.877 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.6 -43.29 84.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 72.010000000000005 110.851 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -54.0 -31.55 51.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 74.409999999999997 110.843 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 6' ' ' ILE . 4.9 mp -89.37 -36.05 8.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 74.25 111.141 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.81 -50.81 43.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 75.129999999999995 110.852 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -52.65 -27.19 16.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 73.109999999999999 110.899 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -82.7 -31.95 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 65.549999999999997 111.127 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.2 mt -61.26 -57.57 11.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 54.049999999999997 111.13 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.2 mmm-85 59.72 29.45 19.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 75.120000000000005 110.876 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 63.130000000000003 110.928 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.86 0.362 . . . . 72.420000000000002 110.9 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.549 ' H ' HD23 ' A' ' 2' ' ' LEU . 1.1 pt? -96.63 -18.11 19.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 75.010000000000005 110.923 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -122.47 -51.15 1.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 73.200000000000003 110.834 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.87 -45.08 70.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 74.400000000000006 110.893 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -51.79 -30.6 23.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 75.120000000000005 110.897 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.425 ' N ' HD12 ' A' ' 6' ' ' ILE . 4.9 mp -89.22 -32.61 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 72.409999999999997 111.118 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.69 -51.03 41.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 64.319999999999993 110.873 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -52.7 -26.79 14.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 70.439999999999998 110.924 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -85.23 -30.75 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 70.230000000000004 111.105 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.2 mt -60.14 -59.18 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 73.239999999999995 111.13 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.3 mmm-85 59.56 31.32 20.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 53.340000000000003 110.848 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 72.239999999999995 110.893 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.233 0.184 0 CA-C-O 120.823 0.344 . . . . 71.319999999999993 110.886 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -96.51 -17.97 20.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 71.109999999999999 110.921 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -123.75 -46.24 2.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 71.430000000000007 110.898 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -55.91 -47.36 77.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 64.310000000000002 110.841 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -51.79 -30.43 22.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 73.239999999999995 110.895 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 6' ' ' ILE . 4.9 mp -89.5 -34.51 6.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 71.239999999999995 111.115 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -49.51 -50.7 40.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 75.349999999999994 110.827 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -52.6 -26.56 13.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 75.129999999999995 110.903 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -85.83 -30.75 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 74.299999999999997 111.107 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.676 HG22 ' H ' ' A' ' 12' ' ' LYS . 28.3 mt -61.07 -61.1 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 74.340000000000003 111.167 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 60.17 18.63 7.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 73.530000000000001 110.849 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.676 ' H ' HG22 ' A' ' 10' ' ' ILE . 1.9 mptt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 65.040000000000006 110.935 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.822 0.344 . . . . 72.209999999999994 110.873 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.434 ' O ' HD13 ' A' ' 6' ' ' ILE . 1.6 pt? -96.24 2.18 52.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 73.420000000000002 110.948 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -133.14 -54.83 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 75.409999999999997 110.9 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.36 -49.09 65.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 63.420000000000002 110.902 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp -54.38 -27.09 34.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 74.310000000000002 110.929 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.434 HD13 ' O ' ' A' ' 2' ' ' LEU . 5.0 mp -89.41 -35.53 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 74.030000000000001 111.15 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -50.84 43.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 70.530000000000001 110.883 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -52.71 -27.14 16.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 62.43 110.901 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -82.79 -31.67 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 73.25 111.146 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.2 mt -61.47 -57.62 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 73.129999999999995 111.106 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.6 mmm-85 59.8 29.14 18.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 71.150000000000006 110.891 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 62.210000000000001 110.857 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.865 0.364 . . . . 74.239999999999995 110.924 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.469 ' H ' HD23 ' A' ' 2' ' ' LEU . 0.8 OUTLIER -94.9 -21.84 18.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 61.130000000000003 110.906 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -120.69 -44.45 2.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 74.409999999999997 110.868 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -57.48 -43.44 84.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 45.399999999999999 110.886 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm -53.92 -31.77 51.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 72.349999999999994 110.893 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.421 HD12 ' N ' ' A' ' 6' ' ' ILE . 5.0 mp -89.37 -36.26 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 72.239999999999995 111.167 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.87 -50.72 44.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 73.150000000000006 110.89 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -52.67 -26.9 15.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 72.150000000000006 110.959 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.0 -31.67 9.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 61.109999999999999 111.111 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.6 mt -62.01 -57.88 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 72.420000000000002 111.16 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.3 mmm-85 60.11 23.63 12.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 73.209999999999994 110.858 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 75.239999999999995 110.886 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.891 0.376 . . . . 53.210000000000001 110.929 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -121.2 -43.13 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 63.210000000000001 110.82 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.94 -46.41 82.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 71.409999999999997 110.848 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -52.15 -31.18 30.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 74.400000000000006 110.891 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.421 HD12 ' N ' ' A' ' 6' ' ' ILE . 4.9 mp -89.37 -36.08 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 72.310000000000002 111.139 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.81 -50.81 43.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 62.229999999999997 110.859 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -52.69 -27.03 15.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 71.219999999999999 110.906 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -82.92 -31.71 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 63.409999999999997 111.142 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.6 mt -61.55 -57.65 11.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 72.319999999999993 111.121 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.7 mmm-85 59.73 31.03 20.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 72.239999999999995 110.875 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 73.140000000000001 110.909 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.806 0.336 . . . . 72.540000000000006 110.92 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -122.13 -44.35 2.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 74.319999999999993 110.909 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -56.8 -46.55 81.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 72.140000000000001 110.85 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -52.31 -31.19 31.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 71.299999999999997 110.842 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.421 HD12 ' N ' ' A' ' 6' ' ' ILE . 4.9 mp -89.44 -35.83 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 62.310000000000002 111.109 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.76 -50.8 43.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 75.530000000000001 110.89 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -52.61 -26.95 15.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 73.420000000000002 110.885 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.31 -31.68 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 72.230000000000004 111.14 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.544 HG22 ' HB2' ' A' ' 12' ' ' LYS . 21.6 mt -61.47 -58.41 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 71.400000000000006 111.143 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 59.81 30.95 20.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 75.329999999999998 110.855 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.544 ' HB2' HG22 ' A' ' 10' ' ' ILE . 2.8 mptp? . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 70.420000000000002 110.941 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.836 0.35 . . . . 65.530000000000001 110.908 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -122.21 -44.75 2.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 73.310000000000002 110.917 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -56.93 -46.66 81.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 71.299999999999997 110.841 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -52.0 -31.0 27.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 72.140000000000001 110.874 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.421 HD12 ' N ' ' A' ' 6' ' ' ILE . 4.9 mp -89.38 -35.91 8.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 71.420000000000002 111.13 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.71 -50.78 42.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 72.400000000000006 110.894 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -52.61 -27.06 15.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 72.549999999999997 110.941 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.27 -31.66 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 61.020000000000003 111.158 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.548 HG22 ' HB2' ' A' ' 12' ' ' LYS . 21.6 mt -61.34 -58.49 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 72.219999999999999 111.134 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.6 mmm-85 59.79 29.59 19.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 71.109999999999999 110.892 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.548 ' HB2' HG22 ' A' ' 10' ' ' ILE . 11.1 mptt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 72.239999999999995 110.875 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.798 0.332 . . . . 63.0 110.927 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -120.79 -44.36 2.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 71.540000000000006 110.93 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -57.7 -43.68 85.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 71.439999999999998 110.889 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt -53.67 -31.04 46.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 73.230000000000004 110.901 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.418 HD12 ' N ' ' A' ' 6' ' ' ILE . 4.9 mp -89.41 -35.32 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 74.019999999999996 111.14 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -49.88 -50.73 44.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 74.109999999999999 110.825 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -52.71 -26.85 15.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 71.400000000000006 110.907 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.42 -31.61 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 73.530000000000001 111.11 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.547 HG22 ' HB2' ' A' ' 12' ' ' LYS . 21.3 mt -61.56 -58.52 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 64.299999999999997 111.127 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 59.92 30.81 20.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 72.120000000000005 110.863 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.547 ' HB2' HG22 ' A' ' 10' ' ' ILE . 2.3 mptp? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 51.210000000000001 110.837 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.852 0.358 . . . . 54.210000000000001 110.912 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -121.66 -44.14 2.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 64.219999999999999 110.846 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.51 -46.89 80.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 74.019999999999996 110.878 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -51.66 -30.97 23.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 71.209999999999994 110.941 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 6' ' ' ILE . 4.9 mp -89.4 -36.14 8.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 72.510000000000005 111.173 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.86 -50.8 44.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 71.329999999999998 110.849 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -52.61 -27.26 16.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 70.349999999999994 110.888 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -82.7 -32.3 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 70.010000000000005 111.141 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.9 mt -60.73 -57.35 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 54.109999999999999 111.128 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 59.48 31.6 21.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 75.439999999999998 110.893 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 62.130000000000003 110.848 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 pt? . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.847 0.356 . . . . 72.25 110.892 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -121.69 -49.06 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 73.310000000000002 110.898 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -51.09 -47.23 61.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 41.340000000000003 110.877 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.73 -31.18 25.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 74.109999999999999 110.908 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.418 HD12 ' N ' ' A' ' 6' ' ' ILE . 4.9 mp -89.42 -36.33 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 72.329999999999998 111.139 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.81 -50.71 44.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 65.540000000000006 110.901 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -52.61 -26.93 14.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 65.329999999999998 110.934 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.37 -31.76 8.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 74.430000000000007 111.139 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.559 HG22 ' HB2' ' A' ' 12' ' ' LYS . 21.2 mt -61.38 -58.5 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 72.340000000000003 111.168 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 59.89 30.72 20.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 72.200000000000003 110.892 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.559 ' HB2' HG22 ' A' ' 10' ' ' ILE . 10.7 mptt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 74.010000000000005 110.862 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.86 0.362 . . . . 71.430000000000007 110.93 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -134.54 -57.14 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 72.030000000000001 110.912 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.0 -48.55 64.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 72.439999999999998 110.869 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -54.19 -27.33 33.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 65.239999999999995 110.914 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 6' ' ' ILE . 5.0 mp -89.44 -36.02 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 64.340000000000003 111.11 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.85 -50.81 44.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 54.240000000000002 110.858 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -52.74 -26.98 15.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 63.329999999999998 110.95 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -82.85 -31.67 9.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 63.530000000000001 111.154 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.6 mt -61.61 -57.53 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 75.319999999999993 111.112 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.3 mmm-85 59.77 31.43 20.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 55.450000000000003 110.87 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 72.340000000000003 110.875 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.432 ' O ' HD13 ' A' ' 6' ' ' ILE . 1.2 pt? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.838 0.351 . . . . 71.310000000000002 110.883 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -132.71 -50.83 0.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 75.349999999999994 110.878 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.04 -48.98 77.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 74.340000000000003 110.873 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -53.93 -27.65 32.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 75.439999999999998 110.908 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.432 HD13 ' O ' ' A' ' 2' ' ' LEU . 5.0 mp -89.45 -35.94 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 74.439999999999998 111.105 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.89 -50.79 44.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 72.310000000000002 110.833 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -52.7 -26.97 15.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 73.129999999999995 110.916 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -82.99 -31.61 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 62.420000000000002 111.161 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.7 mt -61.7 -57.5 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 70.530000000000001 111.16 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 59.75 31.05 20.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 71.420000000000002 110.825 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 72.319999999999993 110.931 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.416 ' O ' HD13 ' A' ' 6' ' ' ILE . 1.8 pt? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.846 0.355 . . . . 75.409999999999997 110.882 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -134.48 -57.33 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 71.109999999999999 110.859 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.01 -48.6 64.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 50.549999999999997 110.85 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -54.48 -27.04 35.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 73.450000000000003 110.893 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.416 HD13 ' O ' ' A' ' 2' ' ' LEU . 5.0 mp -89.44 -35.38 7.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 53.219999999999999 111.159 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -49.74 -50.83 42.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 64.209999999999994 110.872 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -52.68 -27.04 15.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 61.25 110.895 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.24 -31.57 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 63.530000000000001 111.17 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.541 HG22 ' HB2' ' A' ' 12' ' ' LYS . 21.7 mt -61.52 -58.3 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 70.319999999999993 111.129 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.7 mmm-85 59.86 29.51 19.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 65.200000000000003 110.859 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.541 ' HB2' HG22 ' A' ' 10' ' ' ILE . 10.0 mptt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 74.310000000000002 110.924 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.439 ' O ' HD13 ' A' ' 6' ' ' ILE . 1.6 pt? . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.801 0.334 . . . . 64.439999999999998 110.87 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -133.69 -53.86 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 74.530000000000001 110.882 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.8 -49.03 69.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.530000000000001 110.851 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp -54.63 -26.77 34.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 74.329999999999998 110.905 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.439 HD13 ' O ' ' A' ' 2' ' ' LEU . 5.0 mp -89.41 -36.86 9.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 74.519999999999996 111.124 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.86 -50.92 43.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 74.349999999999994 110.822 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -52.67 -27.05 15.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 64.209999999999994 110.941 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -82.81 -31.61 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 63.140000000000001 111.104 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.4 mt -61.67 -57.58 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 75.319999999999993 111.108 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.4 mmm-85 59.82 31.18 20.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 62.229999999999997 110.875 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 72.200000000000003 110.858 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.863 0.364 . . . . 75.040000000000006 110.954 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -121.06 -45.07 2.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 75.430000000000007 110.877 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.6 -43.29 84.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 72.010000000000005 110.851 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -54.0 -31.55 51.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 74.409999999999997 110.843 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 6' ' ' ILE . 4.9 mp -89.37 -36.05 8.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 74.25 111.141 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.81 -50.81 43.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 75.129999999999995 110.852 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -52.65 -27.19 16.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 73.109999999999999 110.899 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -82.7 -31.95 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 65.549999999999997 111.127 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.2 mt -61.26 -57.57 11.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 54.049999999999997 111.13 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.2 mmm-85 59.72 29.45 19.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 75.120000000000005 110.876 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 63.130000000000003 110.928 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.877 0.37 . . . . 75.010000000000005 110.923 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -122.47 -51.15 1.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 73.200000000000003 110.834 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.87 -45.08 70.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 74.400000000000006 110.893 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -51.79 -30.6 23.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 75.120000000000005 110.897 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.425 ' N ' HD12 ' A' ' 6' ' ' ILE . 4.9 mp -89.22 -32.61 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 72.409999999999997 111.118 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.69 -51.03 41.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 64.319999999999993 110.873 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -52.7 -26.79 14.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 70.439999999999998 110.924 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -85.23 -30.75 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 70.230000000000004 111.105 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.2 mt -60.14 -59.18 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 73.239999999999995 111.13 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.3 mmm-85 59.56 31.32 20.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 53.340000000000003 110.848 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 72.239999999999995 110.893 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.866 0.365 . . . . 71.109999999999999 110.921 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -123.75 -46.24 2.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 71.430000000000007 110.898 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -55.91 -47.36 77.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 64.310000000000002 110.841 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -51.79 -30.43 22.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 73.239999999999995 110.895 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 6' ' ' ILE . 4.9 mp -89.5 -34.51 6.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 71.239999999999995 111.115 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -49.51 -50.7 40.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 75.349999999999994 110.827 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -52.6 -26.56 13.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 75.129999999999995 110.903 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -85.83 -30.75 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 74.299999999999997 111.107 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.676 HG22 ' H ' ' A' ' 12' ' ' LYS . 28.3 mt -61.07 -61.1 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 74.340000000000003 111.167 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 60.17 18.63 7.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 73.530000000000001 110.849 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.676 ' H ' HG22 ' A' ' 10' ' ' ILE . 1.9 mptt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 65.040000000000006 110.935 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.434 ' O ' HD13 ' A' ' 6' ' ' ILE . 1.6 pt? . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.809 0.338 . . . . 73.420000000000002 110.948 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -133.14 -54.83 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 75.409999999999997 110.9 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.36 -49.09 65.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 63.420000000000002 110.902 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp -54.38 -27.09 34.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 74.310000000000002 110.929 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.434 HD13 ' O ' ' A' ' 2' ' ' LEU . 5.0 mp -89.41 -35.53 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 74.030000000000001 111.15 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -50.84 43.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 70.530000000000001 110.883 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -52.71 -27.14 16.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 62.43 110.901 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -82.79 -31.67 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 73.25 111.146 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.2 mt -61.47 -57.62 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 73.129999999999995 111.106 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.6 mmm-85 59.8 29.14 18.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 71.150000000000006 110.891 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 62.210000000000001 110.857 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.838 0.352 . . . . 61.130000000000003 110.906 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -120.69 -44.45 2.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 74.409999999999997 110.868 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -57.48 -43.44 84.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 45.399999999999999 110.886 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm -53.92 -31.77 51.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 72.349999999999994 110.893 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.421 HD12 ' N ' ' A' ' 6' ' ' ILE . 5.0 mp -89.37 -36.26 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 72.239999999999995 111.167 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.87 -50.72 44.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 73.150000000000006 110.89 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -52.67 -26.9 15.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 72.150000000000006 110.959 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.0 -31.67 9.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 61.109999999999999 111.111 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.6 mt -62.01 -57.88 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 72.420000000000002 111.16 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.3 mmm-85 60.11 23.63 12.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 73.209999999999994 110.858 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 75.239999999999995 110.886 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.1 mmt-85 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.833 0.349 . . . . 71.140000000000001 110.863 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.475 ' H ' HD23 ' A' ' 2' ' ' LEU . 0.9 OUTLIER -96.64 -18.66 19.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 53.210000000000001 110.929 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -121.2 -43.13 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 63.210000000000001 110.82 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.94 -46.41 82.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 71.409999999999997 110.848 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -52.15 -31.18 30.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 74.400000000000006 110.891 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.421 HD12 ' N ' ' A' ' 6' ' ' ILE . 4.9 mp -89.37 -36.08 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 72.310000000000002 111.139 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.81 -50.81 43.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 62.229999999999997 110.859 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -52.69 -27.03 15.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 71.219999999999999 110.906 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -82.92 -31.71 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 63.409999999999997 111.142 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.6 mt -61.55 -57.65 11.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 72.319999999999993 111.121 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.7 mmm-85 59.73 31.03 20.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 72.239999999999995 110.875 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 73.140000000000001 110.909 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.0 mmt85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.865 0.364 . . . . 63.130000000000003 110.832 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.524 ' H ' HD23 ' A' ' 2' ' ' LEU . 1.0 OUTLIER -96.6 -20.62 18.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 72.540000000000006 110.92 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -122.13 -44.35 2.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 74.319999999999993 110.909 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -56.8 -46.55 81.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 72.140000000000001 110.85 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -52.31 -31.19 31.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 71.299999999999997 110.842 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.421 HD12 ' N ' ' A' ' 6' ' ' ILE . 4.9 mp -89.44 -35.83 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 62.310000000000002 111.109 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.76 -50.8 43.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 75.530000000000001 110.89 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -52.61 -26.95 15.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 73.420000000000002 110.885 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.31 -31.68 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 72.230000000000004 111.14 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.544 HG22 ' HB2' ' A' ' 12' ' ' LYS . 21.6 mt -61.47 -58.41 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 71.400000000000006 111.143 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 59.81 30.95 20.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 75.329999999999998 110.855 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.544 ' HB2' HG22 ' A' ' 10' ' ' ILE . 2.8 mptp? . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 70.420000000000002 110.941 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.87 0.367 . . . . 74.510000000000005 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.474 ' H ' HD23 ' A' ' 2' ' ' LEU . 0.8 OUTLIER -96.58 -20.68 18.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 65.530000000000001 110.908 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -122.21 -44.75 2.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 73.310000000000002 110.917 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -56.93 -46.66 81.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 71.299999999999997 110.841 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -52.0 -31.0 27.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 72.140000000000001 110.874 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.421 HD12 ' N ' ' A' ' 6' ' ' ILE . 4.9 mp -89.38 -35.91 8.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 71.420000000000002 111.13 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.71 -50.78 42.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 72.400000000000006 110.894 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -52.61 -27.06 15.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 72.549999999999997 110.941 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.27 -31.66 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 61.020000000000003 111.158 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.548 HG22 ' HB2' ' A' ' 12' ' ' LYS . 21.6 mt -61.34 -58.49 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 72.219999999999999 111.134 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.6 mmm-85 59.79 29.59 19.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 71.109999999999999 110.892 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.548 ' HB2' HG22 ' A' ' 10' ' ' ILE . 11.1 mptt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 72.239999999999995 110.875 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.864 0.364 . . . . 74.439999999999998 110.869 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.545 ' H ' HD23 ' A' ' 2' ' ' LEU . 1.1 pt? -95.76 -20.63 18.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 63.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -120.79 -44.36 2.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 71.540000000000006 110.93 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -57.7 -43.68 85.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 71.439999999999998 110.889 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt -53.67 -31.04 46.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 73.230000000000004 110.901 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.418 HD12 ' N ' ' A' ' 6' ' ' ILE . 4.9 mp -89.41 -35.32 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 74.019999999999996 111.14 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -49.88 -50.73 44.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 74.109999999999999 110.825 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -52.71 -26.85 15.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 71.400000000000006 110.907 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.42 -31.61 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 73.530000000000001 111.11 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.547 HG22 ' HB2' ' A' ' 12' ' ' LYS . 21.3 mt -61.56 -58.52 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 64.299999999999997 111.127 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 59.92 30.81 20.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 72.120000000000005 110.863 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.547 ' HB2' HG22 ' A' ' 10' ' ' ILE . 2.3 mptp? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 51.210000000000001 110.837 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.83 0.348 . . . . 74.209999999999994 110.897 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.508 ' H ' HD23 ' A' ' 2' ' ' LEU . 1.0 OUTLIER -96.49 -18.67 19.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 54.210000000000001 110.912 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -121.66 -44.14 2.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 64.219999999999999 110.846 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.51 -46.89 80.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 74.019999999999996 110.878 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -51.66 -30.97 23.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 71.209999999999994 110.941 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 6' ' ' ILE . 4.9 mp -89.4 -36.14 8.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 72.510000000000005 111.173 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.86 -50.8 44.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 71.329999999999998 110.849 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -52.61 -27.26 16.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 70.349999999999994 110.888 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -82.7 -32.3 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 70.010000000000005 111.141 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.9 mt -60.73 -57.35 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 54.109999999999999 111.128 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 59.48 31.6 21.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 75.439999999999998 110.893 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 62.130000000000003 110.848 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.834 0.35 . . . . 70.200000000000003 110.889 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.579 ' H ' HD23 ' A' ' 2' ' ' LEU . 1.3 pt? -97.19 -12.3 23.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 72.25 110.892 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -121.69 -49.06 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 73.310000000000002 110.898 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -51.09 -47.23 61.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 41.340000000000003 110.877 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.73 -31.18 25.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 74.109999999999999 110.908 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.418 HD12 ' N ' ' A' ' 6' ' ' ILE . 4.9 mp -89.42 -36.33 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 72.329999999999998 111.139 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.81 -50.71 44.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 65.540000000000006 110.901 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -52.61 -26.93 14.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 65.329999999999998 110.934 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.37 -31.76 8.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 74.430000000000007 111.139 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.559 HG22 ' HB2' ' A' ' 12' ' ' LYS . 21.2 mt -61.38 -58.5 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 72.340000000000003 111.168 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 59.89 30.72 20.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 72.200000000000003 110.892 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.559 ' HB2' HG22 ' A' ' 10' ' ' ILE . 10.7 mptt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 74.010000000000005 110.862 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.82 0.343 . . . . 73.140000000000001 110.845 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -83.1 1.3 40.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 71.430000000000007 110.93 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -134.54 -57.14 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 72.030000000000001 110.912 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.0 -48.55 64.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 72.439999999999998 110.869 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -54.19 -27.33 33.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 65.239999999999995 110.914 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 6' ' ' ILE . 5.0 mp -89.44 -36.02 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 64.340000000000003 111.11 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.85 -50.81 44.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 54.240000000000002 110.858 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -52.74 -26.98 15.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 63.329999999999998 110.95 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -82.85 -31.67 9.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 63.530000000000001 111.154 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.6 mt -61.61 -57.53 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 75.319999999999993 111.112 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.3 mmm-85 59.77 31.43 20.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 55.450000000000003 110.87 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 72.340000000000003 110.875 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.855 0.36 . . . . 64.530000000000001 110.833 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.56 ' H ' HD23 ' A' ' 2' ' ' LEU . 1.2 pt? -96.73 -2.15 45.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 71.310000000000002 110.883 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -132.71 -50.83 0.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 75.349999999999994 110.878 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.04 -48.98 77.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 74.340000000000003 110.873 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -53.93 -27.65 32.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 75.439999999999998 110.908 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.432 HD13 ' O ' ' A' ' 2' ' ' LEU . 5.0 mp -89.45 -35.94 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 74.439999999999998 111.105 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.89 -50.79 44.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 72.310000000000002 110.833 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -52.7 -26.97 15.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 73.129999999999995 110.916 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -82.99 -31.61 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 62.420000000000002 111.161 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.7 mt -61.7 -57.5 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 70.530000000000001 111.16 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 59.75 31.05 20.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 71.420000000000002 110.825 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 72.319999999999993 110.931 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.88 0.372 . . . . 73.209999999999994 110.881 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.416 ' O ' HD13 ' A' ' 6' ' ' ILE . 1.8 pt? -82.85 0.99 41.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 75.409999999999997 110.882 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -134.48 -57.33 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 71.109999999999999 110.859 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.01 -48.6 64.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 50.549999999999997 110.85 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -54.48 -27.04 35.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 73.450000000000003 110.893 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.416 HD13 ' O ' ' A' ' 2' ' ' LEU . 5.0 mp -89.44 -35.38 7.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 53.219999999999999 111.159 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -49.74 -50.83 42.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 64.209999999999994 110.872 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -52.68 -27.04 15.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 61.25 110.895 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.24 -31.57 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 63.530000000000001 111.17 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.541 HG22 ' HB2' ' A' ' 12' ' ' LYS . 21.7 mt -61.52 -58.3 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 70.319999999999993 111.129 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.7 mmm-85 59.86 29.51 19.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 65.200000000000003 110.859 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.541 ' HB2' HG22 ' A' ' 10' ' ' ILE . 10.0 mptt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 74.310000000000002 110.924 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.852 0.358 . . . . 74.329999999999998 110.834 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.439 ' O ' HD13 ' A' ' 6' ' ' ILE . 1.6 pt? -96.65 2.29 52.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 64.439999999999998 110.87 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -133.69 -53.86 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 74.530000000000001 110.882 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.8 -49.03 69.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.530000000000001 110.851 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp -54.63 -26.77 34.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 74.329999999999998 110.905 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.439 HD13 ' O ' ' A' ' 2' ' ' LEU . 5.0 mp -89.41 -36.86 9.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 74.519999999999996 111.124 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.86 -50.92 43.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 74.349999999999994 110.822 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -52.67 -27.05 15.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 64.209999999999994 110.941 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -82.81 -31.61 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 63.140000000000001 111.104 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.4 mt -61.67 -57.58 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 75.319999999999993 111.108 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.4 mmm-85 59.82 31.18 20.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 62.229999999999997 110.875 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 72.200000000000003 110.858 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.857 0.361 . . . . 73.099999999999994 110.888 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.426 ' H ' HD23 ' A' ' 2' ' ' LEU . 0.7 OUTLIER -96.41 -22.06 17.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 75.040000000000006 110.954 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -121.06 -45.07 2.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 75.430000000000007 110.877 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -57.6 -43.29 84.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 72.010000000000005 110.851 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -54.0 -31.55 51.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 74.409999999999997 110.843 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 6' ' ' ILE . 4.9 mp -89.37 -36.05 8.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 74.25 111.141 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.81 -50.81 43.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 75.129999999999995 110.852 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -52.65 -27.19 16.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 73.109999999999999 110.899 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -82.7 -31.95 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 65.549999999999997 111.127 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.2 mt -61.26 -57.57 11.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 54.049999999999997 111.13 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.2 mmm-85 59.72 29.45 19.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 75.120000000000005 110.876 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 63.130000000000003 110.928 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.86 0.362 . . . . 72.420000000000002 110.9 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.549 ' H ' HD23 ' A' ' 2' ' ' LEU . 1.1 pt? -96.63 -18.11 19.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 75.010000000000005 110.923 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -122.47 -51.15 1.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 73.200000000000003 110.834 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.87 -45.08 70.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 74.400000000000006 110.893 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -51.79 -30.6 23.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 75.120000000000005 110.897 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.425 ' N ' HD12 ' A' ' 6' ' ' ILE . 4.9 mp -89.22 -32.61 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 72.409999999999997 111.118 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.69 -51.03 41.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 64.319999999999993 110.873 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -52.7 -26.79 14.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 70.439999999999998 110.924 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -85.23 -30.75 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 70.230000000000004 111.105 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.2 mt -60.14 -59.18 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 73.239999999999995 111.13 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.3 mmm-85 59.56 31.32 20.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 53.340000000000003 110.848 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 72.239999999999995 110.893 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.233 0.184 0 CA-C-O 120.823 0.344 . . . . 71.319999999999993 110.886 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -96.51 -17.97 20.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 71.109999999999999 110.921 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -123.75 -46.24 2.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 71.430000000000007 110.898 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -55.91 -47.36 77.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 64.310000000000002 110.841 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -51.79 -30.43 22.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 73.239999999999995 110.895 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 6' ' ' ILE . 4.9 mp -89.5 -34.51 6.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 71.239999999999995 111.115 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -49.51 -50.7 40.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 75.349999999999994 110.827 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -52.6 -26.56 13.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 75.129999999999995 110.903 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -85.83 -30.75 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 74.299999999999997 111.107 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.676 HG22 ' H ' ' A' ' 12' ' ' LYS . 28.3 mt -61.07 -61.1 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 74.340000000000003 111.167 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 60.17 18.63 7.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 73.530000000000001 110.849 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.676 ' H ' HG22 ' A' ' 10' ' ' ILE . 1.9 mptt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 65.040000000000006 110.935 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.822 0.344 . . . . 72.209999999999994 110.873 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.434 ' O ' HD13 ' A' ' 6' ' ' ILE . 1.6 pt? -96.24 2.18 52.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 73.420000000000002 110.948 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -133.14 -54.83 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 75.409999999999997 110.9 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.36 -49.09 65.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 63.420000000000002 110.902 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp -54.38 -27.09 34.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 74.310000000000002 110.929 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.434 HD13 ' O ' ' A' ' 2' ' ' LEU . 5.0 mp -89.41 -35.53 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 74.030000000000001 111.15 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -50.84 43.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 70.530000000000001 110.883 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -52.71 -27.14 16.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 62.43 110.901 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -82.79 -31.67 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 73.25 111.146 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.2 mt -61.47 -57.62 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 73.129999999999995 111.106 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.6 mmm-85 59.8 29.14 18.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 71.150000000000006 110.891 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 62.210000000000001 110.857 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.865 0.364 . . . . 74.239999999999995 110.924 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.469 ' H ' HD23 ' A' ' 2' ' ' LEU . 0.8 OUTLIER -94.9 -21.84 18.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 61.130000000000003 110.906 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -120.69 -44.45 2.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 74.409999999999997 110.868 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -57.48 -43.44 84.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 45.399999999999999 110.886 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm -53.92 -31.77 51.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 72.349999999999994 110.893 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.421 HD12 ' N ' ' A' ' 6' ' ' ILE . 5.0 mp -89.37 -36.26 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 72.239999999999995 111.167 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.87 -50.72 44.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 73.150000000000006 110.89 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -52.67 -26.9 15.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 72.150000000000006 110.959 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.2 t -83.0 -31.67 9.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 61.109999999999999 111.111 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.6 mt -62.01 -57.88 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 72.420000000000002 111.16 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.3 mmm-85 60.11 23.63 12.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 73.209999999999994 110.858 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 75.239999999999995 110.886 179.977 . . . . . . . . 1 1 . 1 stop_ save_