data_1vm2_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1vm2 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 tp -78.74 -53.1 7.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.906 0.384 . . . . 0.0 110.509 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -51.17 -18.23 0.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.542 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -81.25 -19.7 42.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.343 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.537 ' C ' ' HZ1' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -73.65 -37.55 65.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.641 -179.829 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.428 ' CD1' ' C ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -73.63 -26.41 60.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.47 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.8 mttt -75.69 -23.06 56.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.449 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.0 m -82.51 -37.61 25.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.64 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tp -69.59 -31.79 70.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.635 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.0 t -74.88 -25.09 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.556 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.0 t -79.17 -28.36 42.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.585 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.587 -179.952 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.7 tp -79.48 -53.18 7.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.999 0.428 . . . . 0.0 110.539 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -65.28 -15.86 62.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.478 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -82.3 -19.94 38.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.418 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -76.51 -38.41 55.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.806 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.487 ' C ' ' CD1' ' A' ' 6' ' ' LEU . 1.4 pp -74.94 -25.11 58.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.492 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -75.67 -28.42 58.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.296 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.6 t -66.64 -32.2 73.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.524 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 62.6 tp -66.7 -36.58 82.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.244 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.6 t -71.63 -19.93 20.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.481 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.9 t -78.32 -23.3 47.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.508 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.574 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 tp -78.3 -53.0 7.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.914 0.388 . . . . 0.0 110.562 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -58.12 -21.5 46.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.568 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -78.89 -19.74 51.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.51 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -79.86 -22.4 42.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.752 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.469 ' C ' ' CD1' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -76.63 -32.04 57.77 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.564 -179.807 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -68.12 -32.15 72.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.543 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.1 m -83.77 -22.17 31.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.517 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.4 tp -74.34 -25.42 59.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.419 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.4 t -67.14 -31.18 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.44 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.4 t -68.17 -29.33 68.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.475 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.574 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.451 ' N ' ' OD2' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.49 2.26 0 N-CA-C 109.521 -1.431 . . . . 0.0 109.521 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.6 tp -77.63 -51.18 11.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.991 0.424 . . . . 0.0 110.462 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 7' ' ' LYS . 26.6 t80 -58.72 -48.02 82.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.574 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.451 ' OD2' ' N ' ' A' ' 1' ' ' GLY . 0.6 OUTLIER -52.71 -23.34 6.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.458 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.7 -45.57 14.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.139 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.497 ' C ' ' CD1' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -78.48 -20.62 50.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.971 179.734 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 3' ' ' PHE . 24.7 tptp -85.6 -30.12 23.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.431 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 4' ' ' ASP . 53.8 m -85.14 -22.54 28.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.579 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 tp -74.76 -34.95 62.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.653 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.0 -29.13 46.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.441 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.7 p -78.09 -20.27 52.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.508 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.632 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.525 ' H2 ' ' CG ' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.8 tp -57.07 -53.44 58.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.964 0.412 . . . . 0.0 110.692 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -55.6 -41.8 73.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.603 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.528 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -57.99 -19.62 32.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.583 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -72.92 -52.2 15.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.004 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.4 -26.76 68.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.316 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -65.91 -33.16 75.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.161 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.47 ' HG ' ' N ' ' A' ' 9' ' ' LEU . 22.7 p -59.64 -29.3 67.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.453 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.47 ' N ' ' HG ' ' A' ' 8' ' ' SER . 5.7 tp -74.39 -36.18 63.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.469 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.1 t -70.99 -24.15 24.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.454 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.6 t -80.16 -32.84 38.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.52 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 8' ' ' SER . 7.8 m-20 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.625 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 tp -78.74 -53.1 7.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.906 0.384 . . . . 0.0 110.509 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -51.17 -18.23 0.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.542 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -81.25 -19.7 42.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.343 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.537 ' C ' ' HZ1' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -73.65 -37.55 65.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.641 -179.829 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.428 ' CD1' ' C ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -73.63 -26.41 60.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.47 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.8 mttt -75.69 -23.06 56.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.449 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.0 m -82.51 -37.61 25.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.64 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tp -69.59 -31.79 70.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.635 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.0 t -74.88 -25.09 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.556 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.0 t -79.17 -28.36 42.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.585 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -78.11 -67.62 0.72 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.587 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -105.28 -24.56 12.68 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.549 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 120.056 -1.652 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.7 tp -79.48 -53.18 7.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.999 0.428 . . . . 0.0 110.539 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -65.28 -15.86 62.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.478 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -82.3 -19.94 38.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.418 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -76.51 -38.41 55.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.806 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.487 ' C ' ' CD1' ' A' ' 6' ' ' LEU . 1.4 pp -74.94 -25.11 58.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.492 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -75.67 -28.42 58.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.296 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.6 t -66.64 -32.2 73.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.524 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 62.6 tp -66.7 -36.58 82.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.244 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.6 t -71.63 -19.93 20.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.481 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.9 t -78.32 -23.3 47.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.508 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.51 -32.0 69.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.574 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -105.46 -33.61 8.07 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.546 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 120.059 -1.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 tp -78.3 -53.0 7.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.914 0.388 . . . . 0.0 110.562 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -58.12 -21.5 46.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.568 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -78.89 -19.74 51.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.51 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -79.86 -22.4 42.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.752 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.469 ' C ' ' CD1' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -76.63 -32.04 57.77 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.564 -179.807 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -68.12 -32.15 72.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.543 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.1 m -83.77 -22.17 31.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.517 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.4 tp -74.34 -25.42 59.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.419 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.4 t -67.14 -31.18 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.44 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.4 t -68.17 -29.33 68.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.475 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.2 -73.01 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.574 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -105.64 -19.11 13.87 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.53 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.067 -1.646 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.451 ' N ' ' OD2' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.49 2.26 0 N-CA-C 109.521 -1.431 . . . . 0.0 109.521 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.6 tp -77.63 -51.18 11.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.991 0.424 . . . . 0.0 110.462 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 7' ' ' LYS . 26.6 t80 -58.72 -48.02 82.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.574 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.451 ' OD2' ' N ' ' A' ' 1' ' ' GLY . 0.6 OUTLIER -52.71 -23.34 6.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.458 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.7 -45.57 14.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.139 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.497 ' C ' ' CD1' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -78.48 -20.62 50.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.971 179.734 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 3' ' ' PHE . 24.7 tptp -85.6 -30.12 23.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.431 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 4' ' ' ASP . 53.8 m -85.14 -22.54 28.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.579 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 tp -74.76 -34.95 62.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.653 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.531 ' O ' ' N ' ' A' ' 14' ' ' NH2 . 75.5 t -64.0 -29.13 46.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.441 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.7 p -78.09 -20.27 52.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.508 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -82.13 -52.43 7.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.632 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -106.39 -8.33 17.23 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.59 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . 0.531 ' N ' ' O ' ' A' ' 10' ' ' VAL . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 120.045 -1.659 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.525 ' H2 ' ' CG ' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.8 tp -57.07 -53.44 58.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.964 0.412 . . . . 0.0 110.692 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -55.6 -41.8 73.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.603 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.528 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -57.99 -19.62 32.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.583 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -72.92 -52.2 15.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.004 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.4 -26.76 68.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.316 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -65.91 -33.16 75.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.161 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.47 ' HG ' ' N ' ' A' ' 9' ' ' LEU . 22.7 p -59.64 -29.3 67.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.453 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.47 ' N ' ' HG ' ' A' ' 8' ' ' SER . 5.7 tp -74.39 -36.18 63.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.469 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 14' ' ' NH2 . 16.1 t -70.99 -24.15 24.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.454 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.6 t -80.16 -32.84 38.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.52 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 8' ' ' SER . 7.8 m-20 -56.22 -53.74 53.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.625 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.442 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -105.87 -22.97 12.79 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.501 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . 0.462 ' N ' ' O ' ' A' ' 10' ' ' VAL . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 120.05 -1.656 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 tp -78.74 -53.1 7.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.906 0.384 . . . . 0.0 110.509 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -51.17 -18.23 0.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.542 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -81.25 -19.7 42.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.343 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.42 ' HZ2' ' HB3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -73.65 -37.55 65.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.641 -179.829 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.635 HD12 ' C ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -73.63 -26.41 60.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.47 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.8 mttt -75.69 -23.06 56.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.449 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.0 m -82.51 -37.61 25.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.64 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tp -69.59 -31.79 70.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.635 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 6' ' ' LEU . 74.0 t -74.88 -25.09 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.556 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.0 t -79.17 -28.36 42.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.585 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.587 -179.952 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.7 tp -79.48 -53.18 7.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.999 0.428 . . . . 0.0 110.539 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -65.28 -15.86 62.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.478 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -82.3 -19.94 38.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.418 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -76.51 -38.41 55.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.806 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.724 HD12 ' C ' ' A' ' 6' ' ' LEU . 1.4 pp -74.94 -25.11 58.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.492 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -75.67 -28.42 58.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.296 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.6 t -66.64 -32.2 73.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.524 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 62.6 tp -66.7 -36.58 82.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.244 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.6 t -71.63 -19.93 20.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.481 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.9 t -78.32 -23.3 47.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.508 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.574 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 tp -78.3 -53.0 7.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.914 0.388 . . . . 0.0 110.562 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.48 ' CZ ' HD21 ' A' ' 6' ' ' LEU . 47.0 t80 -58.12 -21.5 46.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.568 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -78.89 -19.74 51.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.51 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -79.86 -22.4 42.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.752 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.672 HD12 ' C ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -76.63 -32.04 57.77 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.564 -179.807 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -68.12 -32.15 72.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.543 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.1 m -83.77 -22.17 31.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.517 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.4 tp -74.34 -25.42 59.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.419 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.4 t -67.14 -31.18 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.44 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.4 t -68.17 -29.33 68.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.475 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.574 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 N-CA-C 109.521 -1.431 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.6 tp -77.63 -51.18 11.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.991 0.424 . . . . 0.0 110.462 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 7' ' ' LYS . 26.6 t80 -58.72 -48.02 82.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.574 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.424 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -52.71 -23.34 6.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.458 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.7 -45.57 14.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.139 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -78.48 -20.62 50.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.971 179.734 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 3' ' ' PHE . 24.7 tptp -85.6 -30.12 23.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.431 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.8 m -85.14 -22.54 28.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.579 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 tp -74.76 -34.95 62.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.653 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 6' ' ' LEU . 75.5 t -64.0 -29.13 46.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.441 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.7 p -78.09 -20.27 52.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.508 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.632 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.8 tp -57.07 -53.44 58.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.964 0.412 . . . . 0.0 110.692 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -55.6 -41.8 73.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.603 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.528 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -57.99 -19.62 32.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.583 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -72.92 -52.2 15.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.004 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.514 HD12 ' C ' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -62.4 -26.76 68.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.316 -179.845 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -65.91 -33.16 75.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.161 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.404 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 22.7 p -59.64 -29.3 67.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.453 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.7 tp -74.39 -36.18 63.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.469 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.1 t -70.99 -24.15 24.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.454 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.6 t -80.16 -32.84 38.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.52 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 8' ' ' SER . 7.8 m-20 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.625 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 tp -78.74 -53.1 7.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.906 0.384 . . . . 0.0 110.509 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -51.17 -18.23 0.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.542 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -81.25 -19.7 42.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.343 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.42 ' HZ2' ' HB3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -73.65 -37.55 65.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.641 -179.829 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.635 HD12 ' C ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -73.63 -26.41 60.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.47 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.8 mttt -75.69 -23.06 56.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.449 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.0 m -82.51 -37.61 25.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.64 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tp -69.59 -31.79 70.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.635 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 6' ' ' LEU . 74.0 t -74.88 -25.09 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.556 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.0 t -79.17 -28.36 42.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.585 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -78.11 -67.62 0.72 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.587 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -105.28 -24.56 12.68 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.549 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 120.056 -1.652 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.7 tp -79.48 -53.18 7.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.999 0.428 . . . . 0.0 110.539 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -65.28 -15.86 62.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.478 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -82.3 -19.94 38.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.418 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -76.51 -38.41 55.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.806 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.724 HD12 ' C ' ' A' ' 6' ' ' LEU . 1.4 pp -74.94 -25.11 58.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.492 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -75.67 -28.42 58.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.296 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.6 t -66.64 -32.2 73.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.524 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 62.6 tp -66.7 -36.58 82.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.244 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.6 t -71.63 -19.93 20.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.481 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.9 t -78.32 -23.3 47.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.508 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.51 -32.0 69.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.574 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -105.46 -33.61 8.07 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.546 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 120.059 -1.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 tp -78.3 -53.0 7.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.914 0.388 . . . . 0.0 110.562 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.48 ' CZ ' HD21 ' A' ' 6' ' ' LEU . 47.0 t80 -58.12 -21.5 46.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.568 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -78.89 -19.74 51.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.51 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -79.86 -22.4 42.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.752 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.672 HD12 ' C ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -76.63 -32.04 57.77 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.564 -179.807 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -68.12 -32.15 72.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.543 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.1 m -83.77 -22.17 31.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.517 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.4 tp -74.34 -25.42 59.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.419 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.4 t -67.14 -31.18 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.44 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.4 t -68.17 -29.33 68.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.475 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.2 -73.01 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.574 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -105.64 -19.11 13.87 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.53 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.067 -1.646 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 N-CA-C 109.521 -1.431 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.6 tp -77.63 -51.18 11.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.991 0.424 . . . . 0.0 110.462 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 7' ' ' LYS . 26.6 t80 -58.72 -48.02 82.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.574 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.424 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -52.71 -23.34 6.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.458 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.7 -45.57 14.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.139 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -78.48 -20.62 50.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.971 179.734 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 3' ' ' PHE . 24.7 tptp -85.6 -30.12 23.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.431 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.8 m -85.14 -22.54 28.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.579 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 tp -74.76 -34.95 62.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.653 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.531 ' O ' ' N ' ' A' ' 14' ' ' NH2 . 75.5 t -64.0 -29.13 46.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.441 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.7 p -78.09 -20.27 52.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.508 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -82.13 -52.43 7.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.632 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -106.39 -8.33 17.23 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.59 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . 0.531 ' N ' ' O ' ' A' ' 10' ' ' VAL . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 120.045 -1.659 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.8 tp -57.07 -53.44 58.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.964 0.412 . . . . 0.0 110.692 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -55.6 -41.8 73.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.603 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.528 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -57.99 -19.62 32.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.583 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -72.92 -52.2 15.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.004 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.514 HD12 ' C ' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -62.4 -26.76 68.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.316 -179.845 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -65.91 -33.16 75.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.161 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.404 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 22.7 p -59.64 -29.3 67.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.453 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.7 tp -74.39 -36.18 63.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.469 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 14' ' ' NH2 . 16.1 t -70.99 -24.15 24.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.454 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.6 t -80.16 -32.84 38.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.52 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 8' ' ' SER . 7.8 m-20 -56.22 -53.74 53.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.625 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.442 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -105.87 -22.97 12.79 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.501 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . 0.462 ' N ' ' O ' ' A' ' 10' ' ' VAL . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 120.05 -1.656 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 tp -78.74 -53.1 7.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.906 0.384 . . . . 0.0 110.509 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -51.17 -18.23 0.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.542 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -81.25 -19.7 42.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.343 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.42 ' HZ2' ' HB3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -73.65 -37.55 65.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.641 -179.829 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.635 ' C ' HD12 ' A' ' 6' ' ' LEU . 1.0 OUTLIER -73.63 -26.41 60.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.47 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.8 mttt -75.69 -23.06 56.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.449 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.0 m -82.51 -37.61 25.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.64 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tp -69.59 -31.79 70.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.635 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 6' ' ' LEU . 74.0 t -74.88 -25.09 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.556 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.0 t -79.17 -28.36 42.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.585 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.587 -179.952 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.7 tp -79.48 -53.18 7.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.999 0.428 . . . . 0.0 110.539 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -65.28 -15.86 62.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.478 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -82.3 -19.94 38.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.418 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -76.51 -38.41 55.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.806 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.724 ' C ' HD12 ' A' ' 6' ' ' LEU . 1.4 pp -74.94 -25.11 58.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.492 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -75.67 -28.42 58.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.296 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.6 t -66.64 -32.2 73.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.524 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 62.6 tp -66.7 -36.58 82.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.244 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.6 t -71.63 -19.93 20.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.481 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.9 t -78.32 -23.3 47.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.508 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.574 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 tp -78.3 -53.0 7.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.914 0.388 . . . . 0.0 110.562 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.48 ' CZ ' HD21 ' A' ' 6' ' ' LEU . 47.0 t80 -58.12 -21.5 46.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.568 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -78.89 -19.74 51.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.51 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -79.86 -22.4 42.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.752 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.672 ' C ' HD12 ' A' ' 6' ' ' LEU . 0.6 OUTLIER -76.63 -32.04 57.77 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.564 -179.807 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -68.12 -32.15 72.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.543 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.1 m -83.77 -22.17 31.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.517 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.4 tp -74.34 -25.42 59.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.419 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.4 t -67.14 -31.18 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.44 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.4 t -68.17 -29.33 68.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.475 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.574 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 N-CA-C 109.521 -1.431 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.6 tp -77.63 -51.18 11.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.991 0.424 . . . . 0.0 110.462 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 7' ' ' LYS . 26.6 t80 -58.72 -48.02 82.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.574 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -52.71 -23.34 6.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.458 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.7 -45.57 14.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.139 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.761 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -78.48 -20.62 50.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.971 179.734 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 3' ' ' PHE . 24.7 tptp -85.6 -30.12 23.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.431 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.8 m -85.14 -22.54 28.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.579 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 tp -74.76 -34.95 62.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.653 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 6' ' ' LEU . 75.5 t -64.0 -29.13 46.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.441 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.7 p -78.09 -20.27 52.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.508 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.632 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.8 tp -57.07 -53.44 58.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.964 0.412 . . . . 0.0 110.692 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -55.6 -41.8 73.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.603 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -57.99 -19.62 32.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.583 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -72.92 -52.2 15.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.004 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.514 ' C ' HD12 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -62.4 -26.76 68.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.316 -179.845 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -65.91 -33.16 75.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.161 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.404 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 22.7 p -59.64 -29.3 67.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.453 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.7 tp -74.39 -36.18 63.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.469 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.1 t -70.99 -24.15 24.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.454 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.6 t -80.16 -32.84 38.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.52 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 8' ' ' SER . 7.8 m-20 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.625 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 tp -78.74 -53.1 7.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.906 0.384 . . . . 0.0 110.509 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -51.17 -18.23 0.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.542 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -81.25 -19.7 42.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.343 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.42 ' HZ2' ' HB3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -73.65 -37.55 65.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.641 -179.829 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.635 ' C ' HD12 ' A' ' 6' ' ' LEU . 1.0 OUTLIER -73.63 -26.41 60.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.47 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.8 mttt -75.69 -23.06 56.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.449 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.0 m -82.51 -37.61 25.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.64 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tp -69.59 -31.79 70.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.635 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 6' ' ' LEU . 74.0 t -74.88 -25.09 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.556 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.0 t -79.17 -28.36 42.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.585 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -78.11 -67.62 0.72 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.587 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -105.28 -24.56 12.68 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.549 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 120.056 -1.652 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.7 tp -79.48 -53.18 7.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.999 0.428 . . . . 0.0 110.539 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -65.28 -15.86 62.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.478 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -82.3 -19.94 38.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.418 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -76.51 -38.41 55.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.806 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.724 ' C ' HD12 ' A' ' 6' ' ' LEU . 1.4 pp -74.94 -25.11 58.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.492 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -75.67 -28.42 58.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.296 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.6 t -66.64 -32.2 73.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.524 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 62.6 tp -66.7 -36.58 82.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.244 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.6 t -71.63 -19.93 20.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.481 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.9 t -78.32 -23.3 47.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.508 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.51 -32.0 69.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.574 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -105.46 -33.61 8.07 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.546 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 120.059 -1.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 tp -78.3 -53.0 7.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.914 0.388 . . . . 0.0 110.562 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.48 ' CZ ' HD21 ' A' ' 6' ' ' LEU . 47.0 t80 -58.12 -21.5 46.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.568 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -78.89 -19.74 51.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.51 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -79.86 -22.4 42.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.752 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.672 ' C ' HD12 ' A' ' 6' ' ' LEU . 0.6 OUTLIER -76.63 -32.04 57.77 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.564 -179.807 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -68.12 -32.15 72.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.543 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.1 m -83.77 -22.17 31.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.517 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.4 tp -74.34 -25.42 59.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.419 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.4 t -67.14 -31.18 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.44 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.4 t -68.17 -29.33 68.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.475 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.2 -73.01 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.574 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -105.64 -19.11 13.87 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.53 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.067 -1.646 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 N-CA-C 109.521 -1.431 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.6 tp -77.63 -51.18 11.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.991 0.424 . . . . 0.0 110.462 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 7' ' ' LYS . 26.6 t80 -58.72 -48.02 82.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.574 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -52.71 -23.34 6.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.458 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.7 -45.57 14.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.139 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.761 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -78.48 -20.62 50.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.971 179.734 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 3' ' ' PHE . 24.7 tptp -85.6 -30.12 23.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.431 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.8 m -85.14 -22.54 28.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.579 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 tp -74.76 -34.95 62.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.653 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.531 ' O ' ' N ' ' A' ' 14' ' ' NH2 . 75.5 t -64.0 -29.13 46.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.441 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.7 p -78.09 -20.27 52.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.508 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -82.13 -52.43 7.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.632 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -106.39 -8.33 17.23 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.59 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . 0.531 ' N ' ' O ' ' A' ' 10' ' ' VAL . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 120.045 -1.659 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.8 tp -57.07 -53.44 58.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.964 0.412 . . . . 0.0 110.692 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -55.6 -41.8 73.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.603 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 4' ' ' ASP . 0.6 OUTLIER -57.99 -19.62 32.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.583 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -72.92 -52.2 15.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.004 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.514 ' C ' HD12 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -62.4 -26.76 68.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.316 -179.845 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -65.91 -33.16 75.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.161 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.404 ' O ' ' OD1' ' A' ' 12' ' ' ASP . 22.7 p -59.64 -29.3 67.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.453 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.7 tp -74.39 -36.18 63.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.469 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 14' ' ' NH2 . 16.1 t -70.99 -24.15 24.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.454 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.6 t -80.16 -32.84 38.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.52 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 8' ' ' SER . 7.8 m-20 -56.22 -53.74 53.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.625 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.442 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -105.87 -22.97 12.79 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.501 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . 0.462 ' N ' ' O ' ' A' ' 10' ' ' VAL . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 120.05 -1.656 . . . . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_