data_6rrl_residue ############################ # Computer software used # ############################ 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 6rrl _Structure_validation_residue.Date_analyzed 2019-07-19 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 ' 1' ' ' PHE . . . . . . . . . . . . . 11.6 t80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.877 0.37 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.18 69.22 4.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.833 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 mp -66.9 -51.77 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -51.7 -35.62 43.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -58.39 -32.36 68.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.2 mt -85.61 -46.58 17.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mt -59.82 -43.93 94.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.11 -26.88 17.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.7 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.8 t80 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.876 0.37 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.8 ptp85 -85.49 63.46 8.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -67.34 -56.87 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -49.69 -38.56 33.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 mmt-85 -59.87 -38.73 83.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.5 mt -69.39 -48.25 68.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mt -54.88 -35.07 63.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.24 -27.91 16.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.3 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.102 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 12.3 t80 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.854 0.359 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -79.89 69.57 6.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp -66.76 -50.78 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -35.99 36.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.33 -35.95 74.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.2 mt -76.11 -50.3 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.0 mt -51.48 -32.77 28.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.88 -28.01 8.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.5 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 180.0 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.6 t80 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.882 0.372 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -87.71 63.2 7.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp -64.47 -53.14 46.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -51.11 -37.28 45.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -59.06 -32.25 69.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.8 mt -83.35 -36.38 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.9 mt -58.5 -46.66 86.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -54.18 -27.26 32.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.8 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.0 t80 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.846 0.355 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -80.49 68.44 6.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.95 -54.18 27.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -50.39 -35.68 29.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -58.95 -38.56 79.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.4 mt -73.68 -43.59 54.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -55.77 -35.52 66.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.955 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -52.48 -27.87 18.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.6 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.986 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 22.7 t80 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.833 0.349 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.68 67.44 7.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 mp -63.4 -48.48 87.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -51.03 -38.23 50.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -32.24 64.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.3 mt -83.87 -43.67 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -60.86 -43.06 98.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -56.62 -24.23 46.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.5 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.4 t80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.853 0.358 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -86.36 65.69 9.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp -65.4 -51.29 65.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -49.55 -36.11 22.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.838 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -60.72 -40.34 91.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.7 mt -69.57 -48.97 62.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mt -52.53 -37.59 57.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -52.66 -28.24 20.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.8 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.8 t80 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.858 0.361 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.2 ptp85 -84.56 67.18 9.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.2 mp -65.74 -50.84 68.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.141 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -49.26 -35.75 18.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -42.41 94.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.842 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.4 mt -68.42 -45.31 82.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.071 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -55.73 -35.52 66.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 -52.8 -27.89 20.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.5 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.7 t80 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.828 0.346 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -87.32 62.26 7.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.0 mp -64.3 -54.54 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -50.75 -36.62 37.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -60.15 -38.75 84.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 52.0 mt -71.17 -46.65 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mt -55.09 -35.21 64.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -52.28 -27.92 16.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.2 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.939 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 9.8 t80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.869 0.366 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -78.93 68.62 4.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 mp -65.87 -50.31 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -51.54 -35.2 39.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -34.34 74.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.6 mt -88.56 -38.69 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.0 mt -61.65 -42.44 98.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.79 -23.84 13.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.5 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 15.4 t80 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.855 0.359 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -80.76 68.94 7.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -65.58 -48.84 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -51.32 -37.53 48.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -30.61 64.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.9 mt -86.14 -40.72 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mt -60.19 -43.91 95.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -55.8 -25.43 41.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.0 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 4.7 t80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.913 0.387 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.4 mtp85 -87.56 62.35 7.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -50.81 -48.15 28.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.103 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -53.69 -39.31 65.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -35.42 63.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.9 mt -77.37 -46.69 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.3 mt -52.73 -34.57 53.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -52.01 -28.05 15.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 95.7 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 8.9 t80 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.87 0.367 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -87.25 63.51 7.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.2 mp -63.57 -53.21 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -50.88 -37.88 46.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -59.75 -34.41 72.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.7 mt -87.76 -35.96 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.1 mt -57.42 -34.54 69.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.17 -27.67 9.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.8 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.948 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.8 t80 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.849 0.357 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -87.25 65.76 8.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp -66.87 -50.74 62.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -49.29 -41.12 37.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -34.94 67.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.7 mt -79.03 -35.46 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -60.63 -41.65 95.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.71 -27.31 17.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.6 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.1 t80 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.847 0.356 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -85.17 63.3 8.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -48.96 -47.62 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -53.47 -35.58 60.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -27.72 69.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.822 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.3 mm -83.04 -39.52 15.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.8 mt -60.43 -43.46 96.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -25.62 25.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 53.5 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.937 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 11.7 t80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.874 0.369 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.34 69.15 5.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.93 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 mp -66.88 -49.62 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -50.88 -36.1 36.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -32.42 69.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.1 mt -84.57 -35.46 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.174 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mt -59.65 -44.81 93.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -55.34 -25.96 37.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.1 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.189 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.0 t80 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.834 0.35 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -87.55 64.11 7.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp -64.9 -54.26 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -50.4 -37.5 37.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -58.49 -36.88 74.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 34.2 mt -75.13 -40.69 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -58.06 -37.34 74.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -52.81 -27.72 19.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 83.2 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 5.1 t80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -86.64 62.24 7.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -50.52 -48.75 26.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -53.06 -36.79 61.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -31.55 64.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 21.3 mt -86.14 -47.37 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -58.6 -43.38 89.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -26.75 21.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.7 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.153 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.8 t80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.865 0.364 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -78.09 68.76 4.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.3 mp -66.21 -51.22 61.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -51.24 -36.56 42.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -58.49 -35.99 73.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.9 mt -76.0 -47.43 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mt -51.87 -37.62 52.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -52.36 -28.72 20.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.8 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 179.964 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 9.3 t80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.846 0.355 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -87.35 64.99 8.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp -67.71 -50.76 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.11 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -50.12 -41.3 48.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.58 -30.63 65.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.826 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.1 mt -84.54 -46.88 17.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.112 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -59.65 -44.75 93.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.95 -26.77 16.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.5 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 11.6 t80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.877 0.37 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.18 69.22 4.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.833 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 mp -66.9 -51.77 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -51.7 -35.62 43.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -58.39 -32.36 68.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.2 mt -85.61 -46.58 17.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mt -59.82 -43.93 94.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.11 -26.88 17.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.7 t -57.78 -40.13 74.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.0 mt -51.75 -34.04 37.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -85.2 54.15 3.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.8 t80 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.876 0.37 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.8 ptp85 -85.49 63.46 8.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -67.34 -56.87 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -49.69 -38.56 33.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 mmt-85 -59.87 -38.73 83.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.5 mt -69.39 -48.25 68.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mt -54.88 -35.07 63.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.24 -27.91 16.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.3 t -57.74 -39.35 70.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.102 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.8 mt -51.83 -34.52 40.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -93.85 48.83 1.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.5 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.952 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 12.3 t80 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.854 0.359 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -79.89 69.57 6.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp -66.76 -50.78 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -35.99 36.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.33 -35.95 74.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.2 mt -76.11 -50.3 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.0 mt -51.48 -32.77 28.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.88 -28.01 8.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.5 t -57.8 -41.14 79.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.0 mt -53.99 -32.69 54.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt 51.57 40.87 28.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.6 t80 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.882 0.372 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -87.71 63.2 7.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp -64.47 -53.14 46.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -51.11 -37.28 45.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -59.06 -32.25 69.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.8 mt -83.35 -36.38 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.9 mt -58.5 -46.66 86.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -54.18 -27.26 32.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.8 t -59.86 -34.86 57.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 69.3 mt -51.87 -33.15 35.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -99.74 62.42 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.0 t80 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.846 0.355 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -80.49 68.44 6.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.95 -54.18 27.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -50.39 -35.68 29.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -58.95 -38.56 79.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.4 mt -73.68 -43.59 54.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -55.77 -35.52 66.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.955 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -52.48 -27.87 18.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.6 t -59.77 -36.19 64.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 mt -105.52 32.75 4.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.71 107.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 37.0 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.897 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 22.7 t80 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.833 0.349 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.68 67.44 7.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 mp -63.4 -48.48 87.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -51.03 -38.23 50.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -32.24 64.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.3 mt -83.87 -43.67 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -60.86 -43.06 98.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -56.62 -24.23 46.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.5 t -59.04 -36.86 64.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mt -99.52 33.3 2.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.966 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 50.95 83.1 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.878 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.4 t80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.853 0.358 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -86.36 65.69 9.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp -65.4 -51.29 65.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -49.55 -36.11 22.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.838 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -60.72 -40.34 91.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.7 mt -69.57 -48.97 62.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mt -52.53 -37.59 57.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -52.66 -28.24 20.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.8 t -57.66 -34.22 46.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 mt -67.71 -31.83 72.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.62 -76.28 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.7 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.894 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.8 t80 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.858 0.361 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.2 ptp85 -84.56 67.18 9.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.2 mp -65.74 -50.84 68.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.141 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -49.26 -35.75 18.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -42.41 94.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.842 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.4 mt -68.42 -45.31 82.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.071 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -55.73 -35.52 66.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 -52.8 -27.89 20.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.5 t -57.8 -40.1 74.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.3 mt -51.78 -34.08 38.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt -68.61 -75.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.962 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.7 t80 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.828 0.346 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -87.32 62.26 7.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.0 mp -64.3 -54.54 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -50.75 -36.62 37.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -60.15 -38.75 84.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 52.0 mt -71.17 -46.65 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mt -55.09 -35.21 64.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -52.28 -27.92 16.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.2 t -57.6 -41.17 78.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mt -95.86 34.01 1.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.64 -75.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.7 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.936 179.892 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 9.8 t80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.869 0.366 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -78.93 68.62 4.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 mp -65.87 -50.31 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -51.54 -35.2 39.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -34.34 74.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.6 mt -88.56 -38.69 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.0 mt -61.65 -42.44 98.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.79 -23.84 13.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.5 t -58.47 -40.43 78.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.3 mt -53.11 -32.24 46.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -64.64 -32.53 74.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.8 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.93 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 15.4 t80 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.855 0.359 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -80.76 68.94 7.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -65.58 -48.84 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -51.32 -37.53 48.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -30.61 64.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.9 mt -86.14 -40.72 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mt -60.19 -43.91 95.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -55.8 -25.43 41.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.0 t -57.97 -35.49 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mt -95.65 33.86 1.58 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.31 -32.22 24.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.0 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.955 179.89 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 4.7 t80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.913 0.387 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.4 mtp85 -87.56 62.35 7.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -50.81 -48.15 28.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.103 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -53.69 -39.31 65.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -35.42 63.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.9 mt -77.37 -46.69 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.3 mt -52.73 -34.57 53.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -52.01 -28.05 15.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 95.7 t -58.32 -36.84 60.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.5 mt -53.41 -34.69 58.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.958 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.89 65.99 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.3 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.907 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 8.9 t80 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.87 0.367 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -87.25 63.51 7.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.2 mp -63.57 -53.21 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -50.88 -37.88 46.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -59.75 -34.41 72.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.7 mt -87.76 -35.96 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.1 mt -57.42 -34.54 69.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.17 -27.67 9.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.8 t -58.36 -41.31 81.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mt -99.07 33.31 2.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.17 -28.56 26.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.5 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.913 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.8 t80 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.849 0.357 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -87.25 65.76 8.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp -66.87 -50.74 62.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -49.29 -41.12 37.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -34.94 67.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.7 mt -79.03 -35.46 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -60.63 -41.65 95.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.71 -27.31 17.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.6 t -57.65 -35.04 49.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 61.4 mt -61.84 -34.08 75.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm 58.14 56.08 4.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.1 t80 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.847 0.356 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -85.17 63.3 8.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -48.96 -47.62 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -53.47 -35.58 60.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -27.72 69.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.822 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.3 mm -83.04 -39.52 15.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.8 mt -60.43 -43.46 96.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -25.62 25.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 53.5 t -58.11 -41.18 80.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 mt -51.59 -32.76 29.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -100.31 46.62 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 179.931 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 11.7 t80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.874 0.369 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.34 69.15 5.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.93 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 mp -66.88 -49.62 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -50.88 -36.1 36.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -32.42 69.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.1 mt -84.57 -35.46 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.174 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mt -59.65 -44.81 93.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -55.34 -25.96 37.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.1 t -58.09 -32.07 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.189 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mt -111.54 38.0 2.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -49.85 -32.47 14.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.0 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.934 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.0 t80 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.834 0.35 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -87.55 64.11 7.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp -64.9 -54.26 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -50.4 -37.5 37.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -58.49 -36.88 74.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 34.2 mt -75.13 -40.69 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -58.06 -37.34 74.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -52.81 -27.72 19.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 83.2 t -59.29 -34.97 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.2 mt -60.79 -31.83 71.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.4 42.48 3.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 5.1 t80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -86.64 62.24 7.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -50.52 -48.75 26.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -53.06 -36.79 61.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -31.55 64.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 21.3 mt -86.14 -47.37 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -58.6 -43.38 89.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -26.75 21.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.7 t -58.63 -37.02 62.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.153 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 69.8 mt -51.85 -34.28 40.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.81 69.62 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.8 t80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.865 0.364 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -78.09 68.76 4.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.3 mp -66.21 -51.22 61.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -51.24 -36.56 42.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -58.49 -35.99 73.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.9 mt -76.0 -47.43 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mt -51.87 -37.62 52.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -52.36 -28.72 20.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.8 t -57.1 -32.55 40.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 11' ' ' LYS . 94.7 mt -78.36 -27.76 47.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER 37.61 42.32 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.842 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.6 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.913 179.897 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 9.3 t80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.846 0.355 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -87.35 64.99 8.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp -67.71 -50.76 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.11 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -50.12 -41.3 48.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.58 -30.63 65.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.826 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.1 mt -84.54 -46.88 17.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.112 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -59.65 -44.75 93.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.95 -26.77 16.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.5 t -58.52 -37.53 65.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mt -103.66 34.93 2.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.18 -29.74 23.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.919 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.635 ' O ' HD12 ' A' ' 3' ' ' ILE . 11.6 t80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.877 0.37 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.18 69.22 4.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.833 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.635 HD12 ' O ' ' A' ' 1' ' ' PHE . 3.4 mp -66.9 -51.77 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -51.7 -35.62 43.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -58.39 -32.36 68.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.2 mt -85.61 -46.58 17.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mt -59.82 -43.93 94.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.11 -26.88 17.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.7 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.8 t80 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.876 0.37 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.8 ptp85 -85.49 63.46 8.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -67.34 -56.87 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -49.69 -38.56 33.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 mmt-85 -59.87 -38.73 83.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.407 ' O ' HG23 ' A' ' 9' ' ' VAL . 64.5 mt -69.39 -48.25 68.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mt -54.88 -35.07 63.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.24 -27.91 16.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 6' ' ' ILE . 93.3 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.102 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.623 ' O ' HD12 ' A' ' 3' ' ' ILE . 12.3 t80 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.854 0.359 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -79.89 69.57 6.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.623 HD12 ' O ' ' A' ' 1' ' ' PHE . 3.5 mp -66.76 -50.78 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -35.99 36.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.33 -35.95 74.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.487 ' O ' HG23 ' A' ' 9' ' ' VAL . 44.2 mt -76.11 -50.3 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.0 mt -51.48 -32.77 28.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.88 -28.01 8.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 6' ' ' ILE . 94.5 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.6 t80 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.882 0.372 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -87.71 63.2 7.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp -64.47 -53.14 46.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -51.11 -37.28 45.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -59.06 -32.25 69.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.8 mt -83.35 -36.38 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.9 mt -58.5 -46.66 86.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -54.18 -27.26 32.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.8 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.405 ' O ' HD12 ' A' ' 3' ' ' ILE . 6.0 t80 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.846 0.355 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -80.49 68.44 6.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.405 HD12 ' O ' ' A' ' 1' ' ' PHE . 2.8 mp -66.95 -54.18 27.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -50.39 -35.68 29.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -58.95 -38.56 79.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.4 mt -73.68 -43.59 54.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -55.77 -35.52 66.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.955 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -52.48 -27.87 18.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.6 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.986 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.66 ' O ' HD12 ' A' ' 3' ' ' ILE . 22.7 t80 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.833 0.349 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.68 67.44 7.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.66 HD12 ' O ' ' A' ' 1' ' ' PHE . 3.9 mp -63.4 -48.48 87.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -51.03 -38.23 50.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -32.24 64.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.3 mt -83.87 -43.67 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -60.86 -43.06 98.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -56.62 -24.23 46.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.5 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.4 t80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.853 0.358 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -86.36 65.69 9.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp -65.4 -51.29 65.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -49.55 -36.11 22.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.838 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -60.72 -40.34 91.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.7 mt -69.57 -48.97 62.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mt -52.53 -37.59 57.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -52.66 -28.24 20.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.8 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.423 ' O ' HD12 ' A' ' 3' ' ' ILE . 7.8 t80 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.858 0.361 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.2 ptp85 -84.56 67.18 9.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.423 HD12 ' O ' ' A' ' 1' ' ' PHE . 3.2 mp -65.74 -50.84 68.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.141 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -49.26 -35.75 18.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -42.41 94.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.842 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.4 mt -68.42 -45.31 82.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.071 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -55.73 -35.52 66.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 -52.8 -27.89 20.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.5 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.7 t80 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.828 0.346 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -87.32 62.26 7.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.0 mp -64.3 -54.54 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -50.75 -36.62 37.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -60.15 -38.75 84.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.408 ' O ' HG23 ' A' ' 9' ' ' VAL . 52.0 mt -71.17 -46.65 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mt -55.09 -35.21 64.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -52.28 -27.92 16.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 6' ' ' ILE . 92.2 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.63 ' O ' HD12 ' A' ' 3' ' ' ILE . 9.8 t80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.869 0.366 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -78.93 68.62 4.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.63 HD12 ' O ' ' A' ' 1' ' ' PHE . 3.4 mp -65.87 -50.31 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -51.54 -35.2 39.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -34.34 74.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.6 mt -88.56 -38.69 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.0 mt -61.65 -42.44 98.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.79 -23.84 13.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.5 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.639 ' O ' HD12 ' A' ' 3' ' ' ILE . 15.4 t80 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.855 0.359 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -80.76 68.94 7.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.639 HD12 ' O ' ' A' ' 1' ' ' PHE . 3.6 mp -65.58 -48.84 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -51.32 -37.53 48.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -30.61 64.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.9 mt -86.14 -40.72 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mt -60.19 -43.91 95.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -55.8 -25.43 41.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.0 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 4.7 t80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.913 0.387 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.4 mtp85 -87.56 62.35 7.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.471 ' H ' HD12 ' A' ' 3' ' ' ILE . 3.6 mp -50.81 -48.15 28.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.103 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -53.69 -39.31 65.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -35.42 63.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 9' ' ' VAL . 39.9 mt -77.37 -46.69 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.3 mt -52.73 -34.57 53.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -52.01 -28.05 15.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 6' ' ' ILE . 95.7 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 8.9 t80 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.87 0.367 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -87.25 63.51 7.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.2 mp -63.57 -53.21 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -50.88 -37.88 46.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -59.75 -34.41 72.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.7 mt -87.76 -35.96 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 7' ' ' LEU . 12.1 mt -57.42 -34.54 69.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.17 -27.67 9.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.8 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.948 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.8 t80 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.849 0.357 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -87.25 65.76 8.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp -66.87 -50.74 62.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -49.29 -41.12 37.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -34.94 67.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.7 mt -79.03 -35.46 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -60.63 -41.65 95.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.71 -27.31 17.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.6 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.433 ' O ' HD12 ' A' ' 3' ' ' ILE . 6.1 t80 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.847 0.356 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -85.17 63.3 8.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.469 ' H ' HD12 ' A' ' 3' ' ' ILE . 3.6 mp -48.96 -47.62 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -53.47 -35.58 60.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -27.72 69.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.822 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.3 mm -83.04 -39.52 15.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.8 mt -60.43 -43.46 96.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -25.62 25.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 53.5 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.937 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.637 ' O ' HD12 ' A' ' 3' ' ' ILE . 11.7 t80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.874 0.369 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.34 69.15 5.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.93 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.637 HD12 ' O ' ' A' ' 1' ' ' PHE . 3.4 mp -66.88 -49.62 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -50.88 -36.1 36.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -32.42 69.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.1 mt -84.57 -35.46 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.174 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mt -59.65 -44.81 93.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -55.34 -25.96 37.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.1 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.189 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.0 t80 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.834 0.35 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -87.55 64.11 7.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp -64.9 -54.26 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -50.4 -37.5 37.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -58.49 -36.88 74.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 34.2 mt -75.13 -40.69 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -58.06 -37.34 74.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -52.81 -27.72 19.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 83.2 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.421 ' O ' HD12 ' A' ' 3' ' ' ILE . 5.1 t80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -86.64 62.24 7.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.482 ' H ' HD12 ' A' ' 3' ' ' ILE . 3.6 mp -50.52 -48.75 26.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -53.06 -36.79 61.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -31.55 64.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 21.3 mt -86.14 -47.37 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -58.6 -43.38 89.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -26.75 21.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.7 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.153 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.633 ' O ' HD12 ' A' ' 3' ' ' ILE . 10.8 t80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.865 0.364 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -78.09 68.76 4.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.633 HD12 ' O ' ' A' ' 1' ' ' PHE . 3.3 mp -66.21 -51.22 61.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -51.24 -36.56 42.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -58.49 -35.99 73.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.9 mt -76.0 -47.43 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mt -51.87 -37.62 52.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -52.36 -28.72 20.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.8 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 179.964 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 9.3 t80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.846 0.355 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.407 ' HB2' ' HB2' ' A' ' 5' ' ' ARG . 4.6 ptm180 -87.35 64.99 8.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp -67.71 -50.76 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.11 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -50.12 -41.3 48.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.407 ' HB2' ' HB2' ' A' ' 2' ' ' ARG . 0.1 OUTLIER -57.58 -30.63 65.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.826 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.1 mt -84.54 -46.88 17.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.112 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -59.65 -44.75 93.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.95 -26.77 16.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.5 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.635 ' O ' HD12 ' A' ' 3' ' ' ILE . 11.6 t80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.877 0.37 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.18 69.22 4.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.833 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.635 HD12 ' O ' ' A' ' 1' ' ' PHE . 3.4 mp -66.9 -51.77 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -51.7 -35.62 43.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -58.39 -32.36 68.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.2 mt -85.61 -46.58 17.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mt -59.82 -43.93 94.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.11 -26.88 17.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.7 t -57.78 -40.13 74.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.0 mt -51.75 -34.04 37.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -85.2 54.15 3.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.8 t80 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.876 0.37 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.8 ptp85 -85.49 63.46 8.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -67.34 -56.87 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -49.69 -38.56 33.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 mmt-85 -59.87 -38.73 83.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.407 ' O ' HG23 ' A' ' 9' ' ' VAL . 64.5 mt -69.39 -48.25 68.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mt -54.88 -35.07 63.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.24 -27.91 16.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 6' ' ' ILE . 93.3 t -57.74 -39.35 70.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.102 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.8 mt -51.83 -34.52 40.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -93.85 48.83 1.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.5 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.952 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.623 ' O ' HD12 ' A' ' 3' ' ' ILE . 12.3 t80 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.854 0.359 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -79.89 69.57 6.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.623 HD12 ' O ' ' A' ' 1' ' ' PHE . 3.5 mp -66.76 -50.78 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -35.99 36.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.33 -35.95 74.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.487 ' O ' HG23 ' A' ' 9' ' ' VAL . 44.2 mt -76.11 -50.3 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.0 mt -51.48 -32.77 28.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.88 -28.01 8.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 6' ' ' ILE . 94.5 t -57.8 -41.14 79.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.0 mt -53.99 -32.69 54.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt 51.57 40.87 28.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.6 t80 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.882 0.372 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -87.71 63.2 7.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp -64.47 -53.14 46.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -51.11 -37.28 45.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -59.06 -32.25 69.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.8 mt -83.35 -36.38 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.9 mt -58.5 -46.66 86.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -54.18 -27.26 32.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.8 t -59.86 -34.86 57.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 69.3 mt -51.87 -33.15 35.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -99.74 62.42 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.405 ' O ' HD12 ' A' ' 3' ' ' ILE . 6.0 t80 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.846 0.355 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -80.49 68.44 6.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.405 HD12 ' O ' ' A' ' 1' ' ' PHE . 2.8 mp -66.95 -54.18 27.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -50.39 -35.68 29.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -58.95 -38.56 79.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.4 mt -73.68 -43.59 54.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -55.77 -35.52 66.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.955 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -52.48 -27.87 18.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.6 t -59.77 -36.19 64.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 mt -105.52 32.75 4.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.71 107.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 37.0 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.897 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.66 ' O ' HD12 ' A' ' 3' ' ' ILE . 22.7 t80 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.833 0.349 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.68 67.44 7.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.66 HD12 ' O ' ' A' ' 1' ' ' PHE . 3.9 mp -63.4 -48.48 87.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -51.03 -38.23 50.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -32.24 64.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.3 mt -83.87 -43.67 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.457 ' HB3' HD12 ' A' ' 12' ' ' LEU . 10.1 mt -60.86 -43.06 98.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -56.62 -24.23 46.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.5 t -59.04 -36.86 64.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mt -99.52 33.3 2.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.966 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 50.95 83.1 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.457 HD12 ' HB3' ' A' ' 7' ' ' LEU . 96.1 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.4 t80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.853 0.358 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -86.36 65.69 9.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp -65.4 -51.29 65.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -49.55 -36.11 22.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.838 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -60.72 -40.34 91.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.7 mt -69.57 -48.97 62.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 10' ' ' LEU . 10.2 mt -52.53 -37.59 57.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -52.66 -28.24 20.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.452 ' HA ' HD21 ' A' ' 12' ' ' LEU . 94.8 t -57.66 -34.22 46.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' ' 7' ' ' LEU . 1.5 mt -67.71 -31.83 72.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.62 -76.28 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.452 HD21 ' HA ' ' A' ' 9' ' ' VAL . 65.7 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.423 ' O ' HD12 ' A' ' 3' ' ' ILE . 7.8 t80 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.858 0.361 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.2 ptp85 -84.56 67.18 9.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.423 HD12 ' O ' ' A' ' 1' ' ' PHE . 3.2 mp -65.74 -50.84 68.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.141 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -49.26 -35.75 18.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -42.41 94.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.842 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.4 mt -68.42 -45.31 82.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.071 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -55.73 -35.52 66.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 -52.8 -27.89 20.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.5 t -57.8 -40.1 74.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.3 mt -51.78 -34.08 38.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt -68.61 -75.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.962 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.7 t80 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.828 0.346 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -87.32 62.26 7.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.0 mp -64.3 -54.54 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -50.75 -36.62 37.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -60.15 -38.75 84.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.408 ' O ' HG23 ' A' ' 9' ' ' VAL . 52.0 mt -71.17 -46.65 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mt -55.09 -35.21 64.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -52.28 -27.92 16.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 6' ' ' ILE . 92.2 t -57.6 -41.17 78.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mt -95.86 34.01 1.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.64 -75.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.7 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.936 179.892 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.63 ' O ' HD12 ' A' ' 3' ' ' ILE . 9.8 t80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.869 0.366 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -78.93 68.62 4.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.63 HD12 ' O ' ' A' ' 1' ' ' PHE . 3.4 mp -65.87 -50.31 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -51.54 -35.2 39.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -34.34 74.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.6 mt -88.56 -38.69 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.0 mt -61.65 -42.44 98.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.79 -23.84 13.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.5 t -58.47 -40.43 78.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.3 mt -53.11 -32.24 46.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -64.64 -32.53 74.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.8 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.93 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.639 ' O ' HD12 ' A' ' 3' ' ' ILE . 15.4 t80 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.855 0.359 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -80.76 68.94 7.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.639 HD12 ' O ' ' A' ' 1' ' ' PHE . 3.6 mp -65.58 -48.84 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -51.32 -37.53 48.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -30.61 64.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.9 mt -86.14 -40.72 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mt -60.19 -43.91 95.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -55.8 -25.43 41.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.0 t -57.97 -35.49 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mt -95.65 33.86 1.58 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.31 -32.22 24.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.0 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.955 179.89 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 4.7 t80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.913 0.387 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.4 mtp85 -87.56 62.35 7.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.471 ' H ' HD12 ' A' ' 3' ' ' ILE . 3.6 mp -50.81 -48.15 28.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.103 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -53.69 -39.31 65.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -35.42 63.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 9' ' ' VAL . 39.9 mt -77.37 -46.69 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.3 mt -52.73 -34.57 53.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -52.01 -28.05 15.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 6' ' ' ILE . 95.7 t -58.32 -36.84 60.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.5 mt -53.41 -34.69 58.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.958 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.89 65.99 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.3 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.907 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 8.9 t80 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.87 0.367 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -87.25 63.51 7.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.2 mp -63.57 -53.21 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -50.88 -37.88 46.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -59.75 -34.41 72.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.7 mt -87.76 -35.96 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 7' ' ' LEU . 12.1 mt -57.42 -34.54 69.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.17 -27.67 9.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.8 t -58.36 -41.31 81.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mt -99.07 33.31 2.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.17 -28.56 26.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.5 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.913 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.8 t80 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.849 0.357 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -87.25 65.76 8.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp -66.87 -50.74 62.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -49.29 -41.12 37.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -34.94 67.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.7 mt -79.03 -35.46 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -60.63 -41.65 95.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.71 -27.31 17.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.6 t -57.65 -35.04 49.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 61.4 mt -61.84 -34.08 75.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm 58.14 56.08 4.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.433 ' O ' HD12 ' A' ' 3' ' ' ILE . 6.1 t80 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.847 0.356 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -85.17 63.3 8.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.469 ' H ' HD12 ' A' ' 3' ' ' ILE . 3.6 mp -48.96 -47.62 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -53.47 -35.58 60.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -27.72 69.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.822 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.3 mm -83.04 -39.52 15.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.8 mt -60.43 -43.46 96.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -25.62 25.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 53.5 t -58.11 -41.18 80.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 mt -51.59 -32.76 29.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -100.31 46.62 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 179.931 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.637 ' O ' HD12 ' A' ' 3' ' ' ILE . 11.7 t80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.874 0.369 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.34 69.15 5.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.93 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.637 HD12 ' O ' ' A' ' 1' ' ' PHE . 3.4 mp -66.88 -49.62 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -50.88 -36.1 36.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -32.42 69.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.1 mt -84.57 -35.46 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.174 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mt -59.65 -44.81 93.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -55.34 -25.96 37.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.1 t -58.09 -32.07 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.189 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mt -111.54 38.0 2.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -49.85 -32.47 14.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.0 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.934 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.0 t80 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.834 0.35 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -87.55 64.11 7.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp -64.9 -54.26 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -50.4 -37.5 37.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -58.49 -36.88 74.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 34.2 mt -75.13 -40.69 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -58.06 -37.34 74.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -52.81 -27.72 19.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 83.2 t -59.29 -34.97 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.2 mt -60.79 -31.83 71.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.4 42.48 3.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.421 ' O ' HD12 ' A' ' 3' ' ' ILE . 5.1 t80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -86.64 62.24 7.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.482 ' H ' HD12 ' A' ' 3' ' ' ILE . 3.6 mp -50.52 -48.75 26.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -53.06 -36.79 61.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -31.55 64.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 21.3 mt -86.14 -47.37 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -58.6 -43.38 89.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -26.75 21.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.7 t -58.63 -37.02 62.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.153 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 69.8 mt -51.85 -34.28 40.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.81 69.62 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.633 ' O ' HD12 ' A' ' 3' ' ' ILE . 10.8 t80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.865 0.364 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -78.09 68.76 4.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.633 HD12 ' O ' ' A' ' 1' ' ' PHE . 3.3 mp -66.21 -51.22 61.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -51.24 -36.56 42.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -58.49 -35.99 73.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.9 mt -76.0 -47.43 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mt -51.87 -37.62 52.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -52.36 -28.72 20.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.8 t -57.1 -32.55 40.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 11' ' ' LYS . 94.7 mt -78.36 -27.76 47.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER 37.61 42.32 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.842 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.6 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.913 179.897 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 9.3 t80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.846 0.355 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.407 ' HB2' ' HB2' ' A' ' 5' ' ' ARG . 4.6 ptm180 -87.35 64.99 8.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp -67.71 -50.76 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.11 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -50.12 -41.3 48.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.407 ' HB2' ' HB2' ' A' ' 2' ' ' ARG . 0.1 OUTLIER -57.58 -30.63 65.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.826 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.1 mt -84.54 -46.88 17.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.112 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -59.65 -44.75 93.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.95 -26.77 16.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.5 t -58.52 -37.53 65.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mt -103.66 34.93 2.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.18 -29.74 23.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.919 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.635 ' O ' HD12 ' A' ' 3' ' ' ILE . 11.6 t80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.877 0.37 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.18 69.22 4.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.833 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.635 HD12 ' O ' ' A' ' 1' ' ' PHE . 3.4 mp -66.9 -51.77 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -51.7 -35.62 43.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -58.39 -32.36 68.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.2 mt -85.61 -46.58 17.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mt -59.82 -43.93 94.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.11 -26.88 17.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.7 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.8 t80 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.876 0.37 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.8 ptp85 -85.49 63.46 8.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -67.34 -56.87 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -49.69 -38.56 33.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 mmt-85 -59.87 -38.73 83.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.407 ' O ' HG23 ' A' ' 9' ' ' VAL . 64.5 mt -69.39 -48.25 68.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mt -54.88 -35.07 63.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.24 -27.91 16.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 6' ' ' ILE . 93.3 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.102 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.623 ' O ' HD12 ' A' ' 3' ' ' ILE . 12.3 t80 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.854 0.359 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -79.89 69.57 6.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.623 HD12 ' O ' ' A' ' 1' ' ' PHE . 3.5 mp -66.76 -50.78 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -35.99 36.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.33 -35.95 74.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.487 ' O ' HG23 ' A' ' 9' ' ' VAL . 44.2 mt -76.11 -50.3 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.0 mt -51.48 -32.77 28.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.88 -28.01 8.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 6' ' ' ILE . 94.5 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.6 t80 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.882 0.372 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -87.71 63.2 7.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp -64.47 -53.14 46.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -51.11 -37.28 45.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -59.06 -32.25 69.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.8 mt -83.35 -36.38 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.9 mt -58.5 -46.66 86.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -54.18 -27.26 32.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.8 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.405 ' O ' HD12 ' A' ' 3' ' ' ILE . 6.0 t80 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.846 0.355 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -80.49 68.44 6.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.405 HD12 ' O ' ' A' ' 1' ' ' PHE . 2.8 mp -66.95 -54.18 27.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -50.39 -35.68 29.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -58.95 -38.56 79.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.4 mt -73.68 -43.59 54.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -55.77 -35.52 66.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.955 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -52.48 -27.87 18.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.6 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.986 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.66 ' O ' HD12 ' A' ' 3' ' ' ILE . 22.7 t80 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.833 0.349 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.68 67.44 7.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.66 HD12 ' O ' ' A' ' 1' ' ' PHE . 3.9 mp -63.4 -48.48 87.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -51.03 -38.23 50.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -32.24 64.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.3 mt -83.87 -43.67 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -60.86 -43.06 98.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -56.62 -24.23 46.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.5 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.4 t80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.853 0.358 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -86.36 65.69 9.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp -65.4 -51.29 65.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -49.55 -36.11 22.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.838 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -60.72 -40.34 91.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.7 mt -69.57 -48.97 62.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mt -52.53 -37.59 57.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -52.66 -28.24 20.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.8 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.423 ' O ' HD12 ' A' ' 3' ' ' ILE . 7.8 t80 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.858 0.361 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.2 ptp85 -84.56 67.18 9.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.423 HD12 ' O ' ' A' ' 1' ' ' PHE . 3.2 mp -65.74 -50.84 68.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.141 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -49.26 -35.75 18.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -42.41 94.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.842 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.4 mt -68.42 -45.31 82.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.071 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -55.73 -35.52 66.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 -52.8 -27.89 20.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.5 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.7 t80 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.828 0.346 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -87.32 62.26 7.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.0 mp -64.3 -54.54 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -50.75 -36.62 37.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -60.15 -38.75 84.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.408 ' O ' HG23 ' A' ' 9' ' ' VAL . 52.0 mt -71.17 -46.65 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mt -55.09 -35.21 64.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -52.28 -27.92 16.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 6' ' ' ILE . 92.2 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.63 ' O ' HD12 ' A' ' 3' ' ' ILE . 9.8 t80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.869 0.366 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -78.93 68.62 4.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.63 HD12 ' O ' ' A' ' 1' ' ' PHE . 3.4 mp -65.87 -50.31 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -51.54 -35.2 39.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -34.34 74.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.6 mt -88.56 -38.69 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.0 mt -61.65 -42.44 98.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.79 -23.84 13.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.5 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.639 ' O ' HD12 ' A' ' 3' ' ' ILE . 15.4 t80 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.855 0.359 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -80.76 68.94 7.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.639 HD12 ' O ' ' A' ' 1' ' ' PHE . 3.6 mp -65.58 -48.84 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -51.32 -37.53 48.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -30.61 64.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.9 mt -86.14 -40.72 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mt -60.19 -43.91 95.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -55.8 -25.43 41.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.0 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 4.7 t80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.913 0.387 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.4 mtp85 -87.56 62.35 7.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.471 ' H ' HD12 ' A' ' 3' ' ' ILE . 3.6 mp -50.81 -48.15 28.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.103 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -53.69 -39.31 65.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -35.42 63.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 9' ' ' VAL . 39.9 mt -77.37 -46.69 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.3 mt -52.73 -34.57 53.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -52.01 -28.05 15.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 6' ' ' ILE . 95.7 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 8.9 t80 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.87 0.367 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -87.25 63.51 7.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.2 mp -63.57 -53.21 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -50.88 -37.88 46.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -59.75 -34.41 72.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.7 mt -87.76 -35.96 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 7' ' ' LEU . 12.1 mt -57.42 -34.54 69.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.17 -27.67 9.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.8 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.948 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.8 t80 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.849 0.357 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -87.25 65.76 8.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp -66.87 -50.74 62.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -49.29 -41.12 37.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -34.94 67.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.7 mt -79.03 -35.46 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -60.63 -41.65 95.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.71 -27.31 17.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.6 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.433 ' O ' HD12 ' A' ' 3' ' ' ILE . 6.1 t80 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.847 0.356 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -85.17 63.3 8.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.469 ' H ' HD12 ' A' ' 3' ' ' ILE . 3.6 mp -48.96 -47.62 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -53.47 -35.58 60.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -27.72 69.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.822 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.3 mm -83.04 -39.52 15.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.8 mt -60.43 -43.46 96.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -25.62 25.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 53.5 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.937 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.637 ' O ' HD12 ' A' ' 3' ' ' ILE . 11.7 t80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.874 0.369 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.34 69.15 5.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.93 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.637 HD12 ' O ' ' A' ' 1' ' ' PHE . 3.4 mp -66.88 -49.62 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -50.88 -36.1 36.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -32.42 69.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.1 mt -84.57 -35.46 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.174 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mt -59.65 -44.81 93.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -55.34 -25.96 37.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.1 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.189 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.0 t80 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.834 0.35 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -87.55 64.11 7.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp -64.9 -54.26 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -50.4 -37.5 37.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -58.49 -36.88 74.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 34.2 mt -75.13 -40.69 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -58.06 -37.34 74.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -52.81 -27.72 19.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 83.2 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.421 ' O ' HD12 ' A' ' 3' ' ' ILE . 5.1 t80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -86.64 62.24 7.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.482 ' H ' HD12 ' A' ' 3' ' ' ILE . 3.6 mp -50.52 -48.75 26.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -53.06 -36.79 61.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -31.55 64.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 21.3 mt -86.14 -47.37 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -58.6 -43.38 89.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -26.75 21.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.7 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.153 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.633 ' O ' HD12 ' A' ' 3' ' ' ILE . 10.8 t80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.865 0.364 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -78.09 68.76 4.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.633 HD12 ' O ' ' A' ' 1' ' ' PHE . 3.3 mp -66.21 -51.22 61.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -51.24 -36.56 42.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -58.49 -35.99 73.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.9 mt -76.0 -47.43 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mt -51.87 -37.62 52.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -52.36 -28.72 20.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.8 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 179.964 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 9.3 t80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.846 0.355 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.407 ' HB2' ' HB2' ' A' ' 5' ' ' ARG . 4.6 ptm180 -87.35 64.99 8.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp -67.71 -50.76 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.11 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -50.12 -41.3 48.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.407 ' HB2' ' HB2' ' A' ' 2' ' ' ARG . 0.1 OUTLIER -57.58 -30.63 65.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.826 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.1 mt -84.54 -46.88 17.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.112 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -59.65 -44.75 93.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.95 -26.77 16.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.5 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.635 ' O ' HD12 ' A' ' 3' ' ' ILE . 11.6 t80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.877 0.37 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.18 69.22 4.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.833 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.635 HD12 ' O ' ' A' ' 1' ' ' PHE . 3.4 mp -66.9 -51.77 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -51.7 -35.62 43.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -58.39 -32.36 68.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.2 mt -85.61 -46.58 17.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mt -59.82 -43.93 94.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.11 -26.88 17.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.7 t -57.78 -40.13 74.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.0 mt -51.75 -34.04 37.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -85.2 54.15 3.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.8 t80 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.876 0.37 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.8 ptp85 -85.49 63.46 8.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -67.34 -56.87 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -49.69 -38.56 33.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 mmt-85 -59.87 -38.73 83.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.407 ' O ' HG23 ' A' ' 9' ' ' VAL . 64.5 mt -69.39 -48.25 68.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mt -54.88 -35.07 63.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.24 -27.91 16.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 6' ' ' ILE . 93.3 t -57.74 -39.35 70.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.102 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.8 mt -51.83 -34.52 40.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -93.85 48.83 1.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.5 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.952 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.623 ' O ' HD12 ' A' ' 3' ' ' ILE . 12.3 t80 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.854 0.359 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -79.89 69.57 6.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.623 HD12 ' O ' ' A' ' 1' ' ' PHE . 3.5 mp -66.76 -50.78 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -35.99 36.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.33 -35.95 74.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.487 ' O ' HG23 ' A' ' 9' ' ' VAL . 44.2 mt -76.11 -50.3 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.0 mt -51.48 -32.77 28.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.88 -28.01 8.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 6' ' ' ILE . 94.5 t -57.8 -41.14 79.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.0 mt -53.99 -32.69 54.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt 51.57 40.87 28.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.6 t80 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.882 0.372 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -87.71 63.2 7.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp -64.47 -53.14 46.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -51.11 -37.28 45.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -59.06 -32.25 69.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.8 mt -83.35 -36.38 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.9 mt -58.5 -46.66 86.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -54.18 -27.26 32.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.8 t -59.86 -34.86 57.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 69.3 mt -51.87 -33.15 35.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -99.74 62.42 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.405 ' O ' HD12 ' A' ' 3' ' ' ILE . 6.0 t80 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.846 0.355 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -80.49 68.44 6.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.405 HD12 ' O ' ' A' ' 1' ' ' PHE . 2.8 mp -66.95 -54.18 27.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -50.39 -35.68 29.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -58.95 -38.56 79.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.4 mt -73.68 -43.59 54.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -55.77 -35.52 66.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.955 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -52.48 -27.87 18.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.6 t -59.77 -36.19 64.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 mt -105.52 32.75 4.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.71 107.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 37.0 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.897 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.66 ' O ' HD12 ' A' ' 3' ' ' ILE . 22.7 t80 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.833 0.349 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.68 67.44 7.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.66 HD12 ' O ' ' A' ' 1' ' ' PHE . 3.9 mp -63.4 -48.48 87.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -51.03 -38.23 50.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -32.24 64.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.3 mt -83.87 -43.67 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.457 ' HB3' HD12 ' A' ' 12' ' ' LEU . 10.1 mt -60.86 -43.06 98.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -56.62 -24.23 46.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.5 t -59.04 -36.86 64.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mt -99.52 33.3 2.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.966 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 50.95 83.1 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.457 HD12 ' HB3' ' A' ' 7' ' ' LEU . 96.1 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.4 t80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.853 0.358 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -86.36 65.69 9.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp -65.4 -51.29 65.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -49.55 -36.11 22.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.838 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -60.72 -40.34 91.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.7 mt -69.57 -48.97 62.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 10' ' ' LEU . 10.2 mt -52.53 -37.59 57.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -52.66 -28.24 20.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.452 ' HA ' HD21 ' A' ' 12' ' ' LEU . 94.8 t -57.66 -34.22 46.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' ' 7' ' ' LEU . 1.5 mt -67.71 -31.83 72.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.62 -76.28 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.452 HD21 ' HA ' ' A' ' 9' ' ' VAL . 65.7 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.423 ' O ' HD12 ' A' ' 3' ' ' ILE . 7.8 t80 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.858 0.361 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.2 ptp85 -84.56 67.18 9.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.423 HD12 ' O ' ' A' ' 1' ' ' PHE . 3.2 mp -65.74 -50.84 68.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.141 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -49.26 -35.75 18.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -42.41 94.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.842 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.4 mt -68.42 -45.31 82.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.071 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -55.73 -35.52 66.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 -52.8 -27.89 20.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.5 t -57.8 -40.1 74.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.3 mt -51.78 -34.08 38.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt -68.61 -75.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.962 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.7 t80 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.828 0.346 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -87.32 62.26 7.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.0 mp -64.3 -54.54 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -50.75 -36.62 37.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -60.15 -38.75 84.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.408 ' O ' HG23 ' A' ' 9' ' ' VAL . 52.0 mt -71.17 -46.65 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mt -55.09 -35.21 64.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -52.28 -27.92 16.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 6' ' ' ILE . 92.2 t -57.6 -41.17 78.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mt -95.86 34.01 1.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.64 -75.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.7 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.936 179.892 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.63 ' O ' HD12 ' A' ' 3' ' ' ILE . 9.8 t80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.869 0.366 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -78.93 68.62 4.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.63 HD12 ' O ' ' A' ' 1' ' ' PHE . 3.4 mp -65.87 -50.31 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -51.54 -35.2 39.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -34.34 74.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.6 mt -88.56 -38.69 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.0 mt -61.65 -42.44 98.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.79 -23.84 13.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.5 t -58.47 -40.43 78.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.3 mt -53.11 -32.24 46.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -64.64 -32.53 74.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.8 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.93 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.639 ' O ' HD12 ' A' ' 3' ' ' ILE . 15.4 t80 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.855 0.359 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -80.76 68.94 7.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.639 HD12 ' O ' ' A' ' 1' ' ' PHE . 3.6 mp -65.58 -48.84 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -51.32 -37.53 48.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -30.61 64.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.9 mt -86.14 -40.72 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mt -60.19 -43.91 95.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -55.8 -25.43 41.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.0 t -57.97 -35.49 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mt -95.65 33.86 1.58 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.31 -32.22 24.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.0 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.955 179.89 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 4.7 t80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.913 0.387 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.4 mtp85 -87.56 62.35 7.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.471 ' H ' HD12 ' A' ' 3' ' ' ILE . 3.6 mp -50.81 -48.15 28.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.103 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -53.69 -39.31 65.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -35.42 63.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 9' ' ' VAL . 39.9 mt -77.37 -46.69 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.3 mt -52.73 -34.57 53.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -52.01 -28.05 15.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 6' ' ' ILE . 95.7 t -58.32 -36.84 60.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.5 mt -53.41 -34.69 58.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.958 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.89 65.99 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.3 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.907 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 8.9 t80 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.87 0.367 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -87.25 63.51 7.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.2 mp -63.57 -53.21 47.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -50.88 -37.88 46.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -59.75 -34.41 72.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.7 mt -87.76 -35.96 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 7' ' ' LEU . 12.1 mt -57.42 -34.54 69.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.17 -27.67 9.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.8 t -58.36 -41.31 81.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mt -99.07 33.31 2.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.17 -28.56 26.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.5 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 179.913 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.8 t80 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.849 0.357 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -87.25 65.76 8.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp -66.87 -50.74 62.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -49.29 -41.12 37.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -34.94 67.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.7 mt -79.03 -35.46 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -60.63 -41.65 95.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.71 -27.31 17.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.6 t -57.65 -35.04 49.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 61.4 mt -61.84 -34.08 75.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm 58.14 56.08 4.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.433 ' O ' HD12 ' A' ' 3' ' ' ILE . 6.1 t80 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.847 0.356 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -85.17 63.3 8.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.469 ' H ' HD12 ' A' ' 3' ' ' ILE . 3.6 mp -48.96 -47.62 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -53.47 -35.58 60.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -27.72 69.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.822 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.3 mm -83.04 -39.52 15.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.8 mt -60.43 -43.46 96.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -25.62 25.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 53.5 t -58.11 -41.18 80.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 mt -51.59 -32.76 29.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -100.31 46.62 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 179.931 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.637 ' O ' HD12 ' A' ' 3' ' ' ILE . 11.7 t80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.874 0.369 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.34 69.15 5.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.93 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.637 HD12 ' O ' ' A' ' 1' ' ' PHE . 3.4 mp -66.88 -49.62 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -50.88 -36.1 36.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -32.42 69.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.1 mt -84.57 -35.46 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.174 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mt -59.65 -44.81 93.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -55.34 -25.96 37.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.1 t -58.09 -32.07 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.189 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mt -111.54 38.0 2.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -49.85 -32.47 14.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.0 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.934 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.0 t80 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.834 0.35 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -87.55 64.11 7.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp -64.9 -54.26 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -50.4 -37.5 37.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -58.49 -36.88 74.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 34.2 mt -75.13 -40.69 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -58.06 -37.34 74.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -52.81 -27.72 19.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 83.2 t -59.29 -34.97 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.2 mt -60.79 -31.83 71.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.4 42.48 3.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.421 ' O ' HD12 ' A' ' 3' ' ' ILE . 5.1 t80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -86.64 62.24 7.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.482 ' H ' HD12 ' A' ' 3' ' ' ILE . 3.6 mp -50.52 -48.75 26.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -53.06 -36.79 61.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -31.55 64.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 21.3 mt -86.14 -47.37 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -58.6 -43.38 89.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -26.75 21.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.7 t -58.63 -37.02 62.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.153 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 69.8 mt -51.85 -34.28 40.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.81 69.62 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.633 ' O ' HD12 ' A' ' 3' ' ' ILE . 10.8 t80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.865 0.364 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -78.09 68.76 4.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.633 HD12 ' O ' ' A' ' 1' ' ' PHE . 3.3 mp -66.21 -51.22 61.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -51.24 -36.56 42.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -58.49 -35.99 73.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.9 mt -76.0 -47.43 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mt -51.87 -37.62 52.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -52.36 -28.72 20.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.8 t -57.1 -32.55 40.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 11' ' ' LYS . 94.7 mt -78.36 -27.76 47.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER 37.61 42.32 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.842 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.6 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.913 179.897 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 9.3 t80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.846 0.355 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.407 ' HB2' ' HB2' ' A' ' 5' ' ' ARG . 4.6 ptm180 -87.35 64.99 8.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 mp -67.71 -50.76 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.11 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -50.12 -41.3 48.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.407 ' HB2' ' HB2' ' A' ' 2' ' ' ARG . 0.1 OUTLIER -57.58 -30.63 65.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.826 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.1 mt -84.54 -46.88 17.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.112 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -59.65 -44.75 93.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.95 -26.77 16.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.5 t -58.52 -37.53 65.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mt -103.66 34.93 2.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.18 -29.74 23.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.919 . . . . . . . . 0 0 . 1 stop_ save_