data_1pjf_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 1pjf _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 CA--C 1.52 0.365 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -69.7 -43.92 79.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.635 -0.283 . . . . 0.0 110.549 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -66.29 -39.75 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.52 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . -51.99 -40.69 61.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.515 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -94.87 -1.2 53.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.484 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -48.72 -59.96 3.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.542 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.54 92.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.522 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -63.1 -41.64 93.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.507 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -56.95 -39.21 74.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.507 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -81.36 -48.1 12.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.523 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.55 -39.15 88.4 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.552 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -67.11 -45.77 85.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.543 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -64.57 -42.29 95.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.48 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -68.58 -49.95 55.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.509 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.95 -67.95 1.45 Allowed Glycine 0 CA--C 1.52 0.379 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . -48.8 -54.48 14.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.611 -0.294 . . . . 0.0 110.501 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.18 -47.2 50.27 Favored Glycine 0 CA--C 1.52 0.357 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . . . -55.81 -14.37 2.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.6 -0.3 . . . . 0.0 110.453 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . -64.53 -42.67 95.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.501 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -57.66 -41.84 82.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.504 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.44 -41.69 79.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.519 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -64.14 -49.29 82.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.51 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.37 -44.28 90.83 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.494 -1.042 . . . . 0.0 110.494 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.71 -54.28 19.62 Favored Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -55.99 -39.76 72.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.598 -0.301 . . . . 0.0 110.518 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -74.65 -45.0 46.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.463 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -75.05 -30.82 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.426 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.95 -23.76 73.78 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.75 -33.17 23.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.576 -0.312 . . . . 0.0 110.494 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -55.42 -30.86 61.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.485 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -54.9 -35.32 33.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.496 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -65.3 -42.41 93.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.505 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -62.3 -48.13 81.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.463 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.14 87.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.522 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -55.91 -43.57 75.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.526 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.91 -46.34 82.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.501 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.42 -60.03 6.64 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.484 -1.047 . . . . 0.0 110.484 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -60.31 -39.49 87.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.565 -0.317 . . . . 0.0 110.429 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -58.47 -44.39 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.556 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -68.71 -41.7 78.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.545 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -59.87 -50.03 75.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.536 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -63.88 -41.26 97.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.586 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -75.0 -40.26 60.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.495 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . -82.25 -33.4 29.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.514 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -73.48 -46.4 48.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.522 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.601 -0.727 . . . . 0.0 . -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 109.999 -1.241 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 77.9 t -69.66 -43.97 79.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.159 0.504 . . . . 0.0 110.511 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.593 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.29 -39.73 84.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.536 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -52.02 -40.65 61.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.511 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.3 p -94.91 -1.23 53.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.455 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.593 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.4 t -48.69 -59.96 3.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.55 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.57 92.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.516 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.811 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.8 t -63.02 -41.7 93.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.513 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.94 -39.21 74.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.511 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.38 -48.02 12.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.562 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.64 -39.1 88.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.494 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.996 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.18 -45.78 85.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.467 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.4 m -64.52 -42.34 95.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.467 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 1.011 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.1 m-20 -68.57 -50.02 54.91 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.481 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.9 -67.92 1.46 Allowed Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.996 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.8 -54.5 14.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.183 0.516 . . . . 0.0 110.528 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.15 -47.22 50.07 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 1.011 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.78 -14.41 2.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.169 0.509 . . . . 0.0 110.478 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.528 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.55 -42.59 95.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.511 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.73 -41.79 82.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.457 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.428 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.52 -41.63 79.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.504 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.588 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.26 -49.26 81.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.442 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.522 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.37 -44.19 91.03 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.696 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.8 -54.29 19.21 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.428 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.97 -39.8 72.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.146 0.498 . . . . 0.0 110.479 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.59 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 96.7 mt -74.62 -45.02 46.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.479 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.696 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.03 -30.8 23.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.477 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.662 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.01 -23.69 73.86 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.78 -33.15 23.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.132 0.491 . . . . 0.0 110.478 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.4 mt -55.45 -30.79 61.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.506 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.714 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.5 t -54.97 -35.27 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.504 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.34 -42.42 93.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.476 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.26 -48.19 81.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.489 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.95 -41.19 86.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.531 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 1.057 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.8 t -55.93 -43.52 75.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.546 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.97 -46.24 82.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.509 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.57 -59.98 6.76 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.0 mt -60.23 -39.52 86.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.117 0.484 . . . . 0.0 110.474 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 1.057 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.55 -44.32 89.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.504 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.505 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.77 -41.74 78.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.529 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.822 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.8 m -59.8 -49.99 75.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.557 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 1.16 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.94 -41.3 97.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.55 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.96 -40.27 60.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.499 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.27 -33.39 29.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.472 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.822 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.47 -46.45 48.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.519 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 1.16 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.819 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.448 0 N-CA-C 109.98 -1.248 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.65 -43.95 79.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.132 0.491 . . . . 0.0 110.526 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.609 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.32 -39.74 84.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.469 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -51.97 -40.7 61.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.509 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.3 p -94.84 -1.27 53.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.496 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.609 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.7 -59.97 3.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.509 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.58 92.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.486 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.817 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.5 t -63.07 -41.7 93.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.443 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.98 -39.13 74.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.509 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.1 m -81.38 -48.07 12.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.532 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.62 -39.06 88.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.561 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 1.014 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.12 -45.86 85.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.525 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.6 m -64.48 -42.3 95.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.521 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.992 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.0 m-20 -68.57 -49.98 55.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.503 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.94 -67.89 1.46 Allowed Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.549 -1.02 . . . . 0.0 110.549 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 1.014 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.83 -54.55 14.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.169 0.509 . . . . 0.0 110.493 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.12 -47.19 49.99 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.514 -1.035 . . . . 0.0 110.514 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.992 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.88 -14.34 2.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.159 0.504 . . . . 0.0 110.461 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.531 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.57 -42.62 95.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.469 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.72 -41.75 82.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.487 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.422 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.51 -41.66 79.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.526 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.604 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.18 -49.29 81.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.443 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.527 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.45 -44.13 90.94 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.708 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.82 -54.28 19.19 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.503 -1.039 . . . . 0.0 110.503 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.422 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.96 -39.77 72.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.113 0.482 . . . . 0.0 110.485 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.604 HD12 HG22 ' A' ' 22' ' ' ILE . 96.6 mt -74.63 -45.07 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.444 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.708 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.0 -30.79 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.482 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.654 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.03 -23.69 73.79 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.73 -33.25 23.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.182 0.515 . . . . 0.0 110.495 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.2 mt -55.38 -30.89 61.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.47 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.709 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.9 t -54.91 -35.28 33.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.502 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.32 -42.45 93.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.516 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.26 -48.17 81.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.461 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.04 -41.12 87.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.481 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 1.032 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.4 t -55.93 -43.62 75.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.518 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.84 -46.3 82.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.523 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.54 -60.0 6.73 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.29 -39.47 87.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.133 0.492 . . . . 0.0 110.457 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 1.032 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.53 -44.3 88.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.554 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.522 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.79 -41.67 78.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.535 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.809 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.88 -50.01 75.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.571 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 1.177 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.9 -41.29 97.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.557 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.97 -40.29 60.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.481 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.8 tpt180 -82.21 -33.39 29.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.523 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.809 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.5 -46.46 47.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.481 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 1.177 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.814 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.399 0 N-CA-C 110.016 -1.234 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.6 t -69.68 -43.98 79.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.145 0.498 . . . . 0.0 110.522 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.589 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.27 -39.74 85.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.511 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -52.02 -40.64 61.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.524 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.8 p -94.95 -1.16 53.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.444 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.589 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.4 t -48.72 -59.96 3.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.556 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.55 92.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.521 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.818 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.6 t -63.1 -41.65 93.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.482 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.02 -39.19 74.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.486 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.32 -48.1 12.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.566 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.58 -39.1 88.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.522 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 1.012 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.6 mm -67.13 -45.8 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.533 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.8 m -64.5 -42.35 95.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.48 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 1.007 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.61 -49.96 55.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.503 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.9 -67.93 1.46 Allowed Glycine 0 CA--C 1.52 0.39 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 1.012 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.78 -54.5 14.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.127 0.489 . . . . 0.0 110.506 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.19 -47.17 50.46 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 1.007 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.85 -14.35 2.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.145 0.498 . . . . 0.0 110.441 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.537 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.57 -42.64 95.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.461 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.72 -41.78 82.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.489 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.427 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.5 -41.67 79.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.516 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.607 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.21 -49.26 81.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.473 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.575 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.39 -44.23 90.89 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.625 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.73 -54.3 19.42 Favored Glycine 0 CA--C 1.52 0.381 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.427 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.99 -39.73 72.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.156 0.503 . . . . 0.0 110.518 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.607 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.69 -45.05 45.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.415 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.6 t -74.96 -30.85 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.46 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.625 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.01 -23.75 73.68 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.69 -33.17 23.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.182 0.515 . . . . 0.0 110.521 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.3 mt -55.45 -30.85 61.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.453 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.708 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.8 t -54.96 -35.22 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.49 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.35 -42.4 93.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.496 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.32 -48.17 81.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.444 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.07 -41.08 87.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.494 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 1.021 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.7 t -55.91 -43.58 75.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.54 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.9 -46.3 82.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.511 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.51 -60.01 6.7 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.23 -39.55 87.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.165 0.507 . . . . 0.0 110.488 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 1.021 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.49 -44.38 88.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.563 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.522 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.68 -41.73 78.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.502 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.818 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.86 -50.01 75.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.536 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 1.172 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.93 -41.26 97.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.568 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.98 -40.26 60.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.496 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.8 tpt180 -82.24 -33.39 29.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.494 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.818 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.49 -46.44 48.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.518 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 1.172 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.813 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.418 0 N-CA-C 110.011 -1.236 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.7 -43.99 79.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.119 0.485 . . . . 0.0 110.509 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.602 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.26 -39.73 85.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.526 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.04 -40.62 61.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.506 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.3 p -94.92 -1.22 53.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.445 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.602 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.73 -59.92 3.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.579 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.55 92.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.548 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.819 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.6 t -63.04 -41.73 93.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.512 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.94 -39.19 74.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.525 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.6 m -81.33 -48.06 12.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.579 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.62 -39.14 88.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.486 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 1.009 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.06 -45.85 85.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.532 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.6 m -64.51 -42.3 95.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.486 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 1.002 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.58 -49.97 55.28 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.532 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.92 -67.87 1.46 Allowed Glycine 0 CA--C 1.52 0.403 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 1.009 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.9 -54.47 15.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.118 0.485 . . . . 0.0 110.465 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.18 -47.14 50.47 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 1.002 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.9 -14.36 2.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.095 0.474 . . . . 0.0 110.42 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.527 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.53 -42.6 95.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.534 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.73 -41.8 82.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.433 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.422 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.5 -41.67 79.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.51 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.591 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.19 -49.24 82.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.478 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.521 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.44 -44.21 90.8 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.676 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.77 -54.25 19.55 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.422 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 92.0 t80 -56.04 -39.7 72.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.142 0.496 . . . . 0.0 110.508 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.591 HD12 HG22 ' A' ' 22' ' ' ILE . 96.6 mt -74.63 -45.04 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.485 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.676 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.09 -30.74 23.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.476 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.652 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.01 -23.75 73.69 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.72 -33.25 23.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.173 0.511 . . . . 0.0 110.458 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.4 mt -55.31 -30.9 61.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.497 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.5 t -54.97 -35.23 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.469 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.38 -42.42 93.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.459 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.34 -48.11 81.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.442 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.19 87.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.457 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 1.043 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.8 t -55.92 -43.57 75.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.467 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.95 -46.23 82.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.485 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.55 -60.0 6.73 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.32 -39.44 87.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.128 0.49 . . . . 0.0 110.471 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 1.043 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.53 -44.33 88.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.54 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.539 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.6 t80 -68.74 -41.75 78.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.51 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.821 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.81 -50.02 75.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.524 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 1.171 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.95 -41.29 97.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.523 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.92 -40.31 60.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.501 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.22 -33.37 29.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.506 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.821 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.49 -46.44 48.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.522 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 1.171 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.785 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.451 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.2 t -69.68 -43.97 79.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.139 0.495 . . . . 0.0 110.493 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.603 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.3 -39.74 84.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.509 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -52.01 -40.66 61.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.507 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.6 p -94.92 -1.19 53.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.433 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.603 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.72 -59.95 3.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.523 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.59 92.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.511 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.824 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.4 t -63.08 -41.64 93.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.507 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.98 -39.2 74.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.495 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.37 -48.01 12.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.572 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.6 -39.1 88.23 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.548 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 1.015 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.13 -45.84 85.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.503 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.3 m -64.47 -42.31 95.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.488 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.991 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.5 m-20 -68.64 -49.93 55.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.47 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.97 -67.85 1.46 Allowed Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 1.015 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.83 -54.52 14.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.165 0.507 . . . . 0.0 110.525 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.13 -47.22 49.98 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.991 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.86 -14.34 2.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.178 0.513 . . . . 0.0 110.479 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.53 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.51 -42.63 95.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.534 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.69 -41.84 82.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.477 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.422 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.47 -41.71 79.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.501 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.584 HG22 HD12 ' A' ' 26' ' ' ILE . 96.6 mt -64.14 -49.26 82.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.501 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.563 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.35 -44.28 90.88 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.491 -1.043 . . . . 0.0 110.491 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.655 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.76 -54.26 19.5 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.422 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.04 -39.73 72.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.147 0.498 . . . . 0.0 110.508 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.584 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.63 -45.08 45.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.442 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.6 t -74.99 -30.78 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.506 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.655 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.02 -23.71 73.78 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.77 -33.16 23.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.13 0.49 . . . . 0.0 110.461 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.5 mt -55.41 -30.84 61.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.487 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.726 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.4 t -54.99 -35.28 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.469 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.32 -42.41 93.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.485 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.32 -48.13 81.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.47 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.15 87.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.496 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 1.044 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.7 t -55.95 -43.55 75.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.5 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.94 -46.28 82.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.482 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.46 -60.11 6.59 Favored Glycine 0 CA--C 1.52 0.393 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.26 -39.47 86.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.101 0.476 . . . . 0.0 110.465 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 1.044 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.53 -44.36 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.495 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.54 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.72 -41.72 78.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.557 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.811 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.8 m -59.88 -49.97 75.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.545 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 1.176 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.95 -41.3 97.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.496 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.99 -40.27 60.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.522 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.23 -33.4 29.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.498 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.811 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.47 -46.42 48.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.518 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 1.176 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.825 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.527 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.69 -43.92 79.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.148 0.499 . . . . 0.0 110.543 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.605 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.27 -39.74 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.533 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.03 -40.64 61.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.509 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.3 p -94.92 -1.16 53.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.453 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.605 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.79 -59.94 3.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.503 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.61 92.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.516 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.822 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.2 t -63.07 -41.64 93.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.522 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.03 -39.14 74.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.509 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.6 m -81.39 -48.04 12.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.56 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.59 -39.14 88.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.522 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 1.005 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.12 -45.83 85.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.513 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.7 m -64.47 -42.34 95.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 1.018 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.54 -50.01 55.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.533 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.88 -67.89 1.46 Allowed Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.563 -1.015 . . . . 0.0 110.563 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 1.005 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.87 -54.47 15.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.171 0.51 . . . . 0.0 110.541 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.14 -47.2 50.06 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.504 -1.039 . . . . 0.0 110.504 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 1.018 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.84 -14.39 2.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.108 0.48 . . . . 0.0 110.44 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.532 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.52 -42.61 95.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.536 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.77 -41.77 82.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.444 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.47 -41.71 79.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.464 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.593 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.2 -49.27 81.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.466 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.52 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.37 -44.18 91.04 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.693 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.85 -54.23 19.36 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.426 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.03 -39.73 72.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.164 0.506 . . . . 0.0 110.483 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.593 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.67 -45.0 45.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.481 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.693 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.08 -30.78 23.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.444 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.659 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.0 -23.72 73.8 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.7 -33.24 23.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.135 0.493 . . . . 0.0 110.491 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.6 mt -55.39 -30.85 61.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.485 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.712 ' O ' HG23 ' A' ' 35' ' ' VAL . 67.0 t -55.01 -35.19 33.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.504 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.37 -42.43 93.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.467 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.29 -48.16 81.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.494 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.96 -41.18 86.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.52 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 1.058 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.6 t -55.94 -43.53 75.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.509 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.97 -46.26 82.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.46 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.5 -60.06 6.65 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.21 -39.49 86.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.138 0.495 . . . . 0.0 110.506 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 1.058 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.53 -44.31 88.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.54 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.516 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.79 -41.73 78.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.495 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.818 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.86 -49.98 75.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.555 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 1.165 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.87 -41.39 97.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.509 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.4 mt -74.94 -40.27 60.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.488 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.25 -33.38 29.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.496 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.818 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.45 -46.48 48.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.542 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 1.165 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.797 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.7 -43.96 79.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.161 0.505 . . . . 0.0 110.507 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.589 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.31 -39.74 84.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.5 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -52.03 -40.66 61.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.496 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.9 p -94.88 -1.2 53.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.44 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.589 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.73 -59.93 3.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.542 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.56 92.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.533 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.815 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.6 t -63.06 -41.68 93.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.504 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.94 -39.25 74.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.517 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.1 m -81.3 -48.1 12.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.562 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.58 -39.09 88.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.555 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.996 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.17 -45.77 85.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.492 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.3 m -64.53 -42.35 95.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.475 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.996 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.2 m-20 -68.54 -49.97 55.5 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.537 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.94 -67.85 1.46 Allowed Glycine 0 CA--C 1.52 0.381 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.996 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.83 -54.53 14.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.16 0.505 . . . . 0.0 110.527 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.13 -47.19 50.03 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.996 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.89 -14.37 2.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.142 0.496 . . . . 0.0 110.449 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.532 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.49 -42.65 95.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.528 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.7 -41.8 82.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.484 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.427 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.48 -41.67 79.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.492 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.608 HG22 HD12 ' A' ' 26' ' ' ILE . 96.6 mt -64.26 -49.25 81.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.448 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.522 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.4 -44.22 90.89 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.681 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.75 -54.28 19.45 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.427 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.01 -39.8 72.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.116 0.484 . . . . 0.0 110.456 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.608 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.6 -45.02 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.511 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.681 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.07 -30.75 23.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.448 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.663 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.03 -23.72 73.72 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.71 -33.2 23.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.163 0.506 . . . . 0.0 110.524 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.5 mt -55.39 -30.86 61.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.5 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.716 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.4 t -54.95 -35.29 33.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.491 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.29 -42.43 93.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.48 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.35 -48.08 81.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.48 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.19 87.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.523 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 1.041 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.8 t -55.9 -43.58 75.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.5 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.91 -46.27 82.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.489 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.55 -60.03 6.7 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.25 -39.47 86.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.129 0.49 . . . . 0.0 110.482 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 1.041 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.51 -44.38 89.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.554 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.5 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.73 -41.71 78.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.52 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.816 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.87 -50.0 75.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.563 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 1.146 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.85 -41.35 97.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.534 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.96 -40.25 60.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.521 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.28 -33.37 29.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.519 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.816 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.51 -46.42 48.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.513 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 1.146 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.823 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.46 0 N-CA-C 109.974 -1.251 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.8 t -69.66 -43.97 79.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.119 0.485 . . . . 0.0 110.526 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.605 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.26 -39.74 85.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.525 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -51.99 -40.71 61.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.493 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.4 p -94.88 -1.25 53.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.439 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.605 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.4 t -48.71 -59.95 3.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.511 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.04 -41.55 92.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.502 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.818 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.7 t -63.04 -41.7 93.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.518 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.96 -39.22 74.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.499 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.6 m -81.39 -47.99 12.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.562 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.61 -39.11 88.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.556 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 1.01 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.6 mm -67.11 -45.85 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.518 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.7 m -64.49 -42.31 95.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.513 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.996 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.4 m-20 -68.55 -50.01 55.14 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.515 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.89 -67.92 1.46 Allowed Glycine 0 CA--C 1.52 0.373 0 N-CA-C 110.544 -1.023 . . . . 0.0 110.544 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 1.01 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.7 tp60 -48.86 -54.51 15.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.117 0.484 . . . . 0.0 110.484 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.12 -47.23 49.87 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.501 -1.04 . . . . 0.0 110.501 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.996 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.7 m-20 -55.8 -14.37 2.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.147 0.498 . . . . 0.0 110.504 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.532 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.58 -42.64 95.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.467 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.68 -41.8 82.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.462 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.53 -41.61 79.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.498 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.605 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.25 -49.24 82.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.467 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.575 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.38 -44.24 90.92 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.647 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.77 -54.3 19.28 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.424 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.99 -39.75 72.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.153 0.501 . . . . 0.0 110.484 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.605 HD12 HG22 ' A' ' 22' ' ' ILE . 96.6 mt -74.61 -45.11 45.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.458 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.9 t -74.95 -30.89 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.47 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.647 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.9 -23.76 73.87 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.73 -33.19 23.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.19 0.519 . . . . 0.0 110.496 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.5 mt -55.36 -30.86 61.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.521 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.719 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.6 t -54.98 -35.26 33.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.494 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.31 -42.47 93.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.459 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.26 -48.18 81.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.459 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.04 -41.1 87.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.523 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 1.022 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.8 t -55.9 -43.59 75.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.541 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.29 82.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.498 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.47 -60.02 6.67 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.494 -1.042 . . . . 0.0 110.494 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.28 -39.53 87.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.076 0.465 . . . . 0.0 110.41 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 1.022 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.3 mm -58.48 -44.37 88.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.506 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.538 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.71 -41.75 78.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.539 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.816 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.8 -50.04 75.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.552 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 1.154 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.94 -41.24 97.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.565 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.4 mt -74.98 -40.24 60.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.541 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.538 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.25 -33.4 29.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.523 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.816 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.48 -46.46 48.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.504 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 1.154 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.806 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.42 0 N-CA-C 110.004 -1.238 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.6 t -69.66 -43.97 79.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.157 0.503 . . . . 0.0 110.525 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.6 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.23 -39.75 85.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.541 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -52.03 -40.68 61.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.503 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.7 p -94.83 -1.22 53.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.503 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.6 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.7 -59.93 3.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.552 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.52 92.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.518 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.812 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.8 t -63.09 -41.65 93.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.47 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.03 -39.14 74.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.499 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.2 m -81.41 -48.07 12.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.509 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.54 -39.19 88.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.547 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 1.009 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.08 -45.82 85.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.52 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.8 m -64.49 -42.33 95.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.51 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.992 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.2 m-20 -68.58 -49.98 55.26 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.499 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 18' ' ' ASP . . . -82.9 -67.93 1.46 Allowed Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.531 -1.027 . . . . 0.0 110.531 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 1.009 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.86 -54.47 15.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.169 0.509 . . . . 0.0 110.516 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.18 -47.2 50.3 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.486 -1.045 . . . . 0.0 110.486 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.992 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.83 -14.36 2.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.152 0.501 . . . . 0.0 110.455 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.531 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.55 -42.6 95.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.521 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.75 -41.78 82.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.471 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.416 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.5 -41.7 79.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.508 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.594 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.16 -49.25 82.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.512 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.573 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.41 -44.22 90.85 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.661 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.79 -54.24 19.48 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.493 -1.043 . . . . 0.0 110.493 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.416 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.03 -39.76 72.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.101 0.477 . . . . 0.0 110.444 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.594 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.61 -45.09 46.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.463 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.6 t -74.99 -30.82 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.439 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.661 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.98 -23.7 73.9 Favored Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.78 -33.15 23.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.194 0.521 . . . . 0.0 110.496 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.5 mt -55.45 -30.81 61.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.473 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.722 ' O ' HG23 ' A' ' 35' ' ' VAL . 66.7 t -55.0 -35.21 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.463 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.41 -42.4 93.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.463 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.31 -48.16 81.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.451 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.01 -41.13 86.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.51 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 1.012 ' O ' HG12 ' A' ' 39' ' ' ILE . 67.0 t -55.93 -43.63 75.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.484 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.86 -46.24 82.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.562 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.56 -60.02 6.72 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.421 -1.071 . . . . 0.0 110.421 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.0 mt -60.27 -39.52 87.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.098 0.475 . . . . 0.0 110.408 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 1.012 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.3 mm -58.48 -44.35 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.535 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.78 -41.68 78.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.506 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.823 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.8 m -59.83 -50.03 75.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.57 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 1.135 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.89 -41.28 97.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.598 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 91.9 mt -75.01 -40.24 60.73 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.531 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.25 -33.35 29.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.542 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.823 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.51 -46.45 47.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.55 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 1.135 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.79 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.447 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.2 t -69.65 -43.95 79.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.129 0.49 . . . . 0.0 110.535 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.599 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.26 -39.75 85.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.538 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -51.97 -40.75 61.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.472 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.4 p -94.88 -1.17 53.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.46 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.599 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.75 -59.97 3.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.519 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.57 92.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.522 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.813 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.4 t -63.05 -41.66 93.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.504 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.98 -39.19 74.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.515 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.39 -47.98 12.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.577 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.65 -39.11 88.08 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.518 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 1.014 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.15 -45.79 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.483 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.8 m -64.51 -42.3 95.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.517 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.983 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.2 m-20 -68.62 -49.92 55.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.525 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.96 -67.85 1.46 Allowed Glycine 0 CA--C 1.52 0.381 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 1.014 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.9 -54.44 15.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.142 0.496 . . . . 0.0 110.493 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.21 -47.18 50.53 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.983 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.86 -14.32 2.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.118 0.485 . . . . 0.0 110.458 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.525 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.6 -42.59 95.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.511 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.68 -41.85 82.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.481 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.413 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.49 -41.63 79.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.505 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.597 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.22 -49.22 82.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.476 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.562 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.43 -44.27 90.69 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.654 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.68 -54.3 19.56 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 110.511 -1.035 . . . . 0.0 110.511 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.413 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.02 -39.74 72.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.149 0.499 . . . . 0.0 110.47 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.597 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.63 -45.08 45.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.457 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.4 t -74.98 -30.78 24.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.486 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.654 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.02 -23.7 73.78 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.8 -33.16 23.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.178 0.513 . . . . 0.0 110.468 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.6 mt -55.44 -30.83 61.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.491 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.727 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.7 t -54.98 -35.22 33.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.488 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.35 -42.37 93.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.519 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.3 -48.18 81.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.473 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.07 -41.08 87.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.507 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 1.037 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.9 t -55.93 -43.59 75.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.515 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.23 82.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.517 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.6 -59.99 6.76 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.27 -39.48 86.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.13 0.491 . . . . 0.0 110.493 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 1.037 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.47 -44.36 88.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.565 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.535 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.77 -41.69 78.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.496 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.81 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.87 -49.95 75.7 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.549 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 1.137 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.1 ttp -63.98 -41.26 97.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.551 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.95 -40.25 60.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.544 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.8 tpt180 -82.28 -33.38 29.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.507 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.81 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.47 -46.4 48.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.574 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 1.137 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.806 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.513 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.3 t -69.66 -43.96 79.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.129 0.49 . . . . 0.0 110.549 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.59 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.27 -39.73 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.498 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.0 -40.67 61.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.477 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.5 p -94.93 -1.2 53.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.434 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.59 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.76 -59.94 3.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.525 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.55 92.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.531 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.823 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.7 t -63.04 -41.7 93.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.503 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.98 -39.19 74.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.505 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.6 m -81.35 -48.02 12.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.563 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.64 -39.08 88.11 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.545 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 1.013 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.13 -45.85 85.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.482 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.5 m -64.51 -42.24 95.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.498 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 1.019 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.2 m-20 -68.66 -49.98 54.79 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.471 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.9 -67.93 1.46 Allowed Glycine 0 CA--C 1.52 0.374 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 1.013 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.7 tp60 -48.79 -54.54 14.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.178 0.514 . . . . 0.0 110.494 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.08 -47.26 49.56 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 1.019 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.77 -14.39 2.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.115 0.483 . . . . 0.0 110.466 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.536 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.58 -42.59 95.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.479 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.76 -41.76 82.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.498 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.423 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.48 -41.69 79.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.47 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.6 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.18 -49.27 82.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.483 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.561 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.43 -44.21 90.81 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 110.469 -1.053 . . . . 0.0 110.469 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.647 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.78 -54.23 19.61 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.423 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.03 -39.78 72.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.106 0.479 . . . . 0.0 110.471 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.6 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.61 -45.11 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.434 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.7 t -74.96 -30.82 24.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.456 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.647 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.99 -23.75 73.72 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.72 -33.2 23.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.18 0.514 . . . . 0.0 110.487 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.6 mt -55.39 -30.86 61.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.469 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.711 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.7 t -54.96 -35.27 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.46 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.35 -42.45 93.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.452 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.3 -48.14 81.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.47 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.01 -41.16 87.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.494 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 1.057 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.7 t -55.92 -43.61 75.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.518 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.85 -46.32 82.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.539 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.46 -60.06 6.63 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.28 -39.47 86.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.111 0.482 . . . . 0.0 110.427 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 1.057 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.53 -44.36 89.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.53 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.523 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.73 -41.65 78.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.56 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.813 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.89 -49.97 75.63 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.574 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 1.153 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.1 ttp -63.95 -41.26 97.64 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.585 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.96 -40.29 60.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.53 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.19 -33.41 29.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.559 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.813 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.49 -46.43 48.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.544 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 1.153 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.804 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.502 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.66 -43.93 79.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.157 0.504 . . . . 0.0 110.557 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.611 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.3 -39.72 84.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.509 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.07 -40.61 61.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.489 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.1 p -94.96 -1.15 53.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.44 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.611 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.76 -59.93 3.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.52 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.53 92.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.534 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.816 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.9 t -63.12 -41.67 93.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.463 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.98 -39.17 74.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.503 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.6 m -81.4 -48.02 12.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.54 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.56 -39.13 88.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.58 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.991 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.17 -45.81 85.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.471 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.6 m -64.54 -42.25 95.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.531 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 1.001 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.62 -49.94 55.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.525 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.94 -67.92 1.45 Allowed Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.991 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.85 -54.5 15.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.122 0.487 . . . . 0.0 110.461 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.09 -47.3 49.52 Favored Glycine 0 CA--C 1.52 0.356 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 1.001 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.73 -14.4 2.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.098 0.475 . . . . 0.0 110.483 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.527 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.57 -42.59 95.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.488 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.75 -41.83 82.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.443 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.427 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.45 -41.67 79.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.496 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.608 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.21 -49.24 82.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.461 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.558 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.46 -44.17 90.83 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.658 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.81 -54.28 19.23 Favored Glycine 0 CA--C 1.521 0.447 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.427 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.0 -39.73 72.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.106 0.479 . . . . 0.0 110.516 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.608 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.65 -45.08 45.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.468 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.6 t -74.95 -30.81 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.495 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.658 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.07 -23.68 73.74 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.79 -33.16 23.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.162 0.506 . . . . 0.0 110.469 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.7 mt -55.38 -30.88 61.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.497 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.721 ' O ' HG23 ' A' ' 35' ' ' VAL . 66.3 t -55.0 -35.22 33.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.439 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.37 -42.47 93.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.444 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.27 -48.13 81.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.454 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.08 -41.11 87.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.446 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 1.026 ' O ' HG12 ' A' ' 39' ' ' ILE . 67.1 t -55.95 -43.56 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.514 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.93 -46.3 82.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.476 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.46 -60.01 6.67 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.499 -1.04 . . . . 0.0 110.499 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.3 -39.49 87.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.126 0.489 . . . . 0.0 110.463 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 1.026 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.51 -44.35 88.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.525 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.72 -41.78 78.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.525 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.82 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.8 -50.01 75.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.569 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 1.169 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.91 -41.36 97.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.484 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.4 mt -74.93 -40.26 60.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.514 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.26 -33.4 29.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.476 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.82 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.47 -46.41 48.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.531 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 1.169 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.808 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.63 -44.0 79.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.125 0.488 . . . . 0.0 110.513 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.592 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.26 -39.75 85.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.52 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -51.97 -40.69 61.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.495 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.9 p -94.89 -1.25 53.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.45 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.592 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.69 -59.93 3.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.576 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.58 92.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.516 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.82 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.5 t -63.05 -41.67 93.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.516 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.01 -39.16 74.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.516 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.3 m -81.34 -48.09 12.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.546 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.56 -39.16 88.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.513 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 1.011 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.6 mm -67.1 -45.84 85.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.517 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.9 m -64.51 -42.29 95.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.514 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 1.009 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.6 -49.95 55.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.475 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.96 -67.96 1.45 Allowed Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 1.011 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.77 -54.53 14.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.152 0.501 . . . . 0.0 110.511 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.14 -47.18 50.13 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 1.009 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.84 -14.4 2.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.122 0.487 . . . . 0.0 110.412 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.53 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.59 -42.55 95.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.521 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.73 -41.79 82.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.488 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.42 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.48 -41.7 79.73 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.447 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.605 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.22 -49.23 82.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.451 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.528 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.43 -44.2 90.84 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.711 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.82 -54.28 19.22 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.48 -1.048 . . . . 0.0 110.48 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.42 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.98 -39.78 72.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.174 0.511 . . . . 0.0 110.499 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.605 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.63 -45.02 46.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.455 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.711 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.02 -30.8 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.483 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.66 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.06 -23.65 73.85 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.82 -33.16 22.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.145 0.497 . . . . 0.0 110.472 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.5 mt -55.45 -30.78 61.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.494 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.725 ' O ' HG23 ' A' ' 35' ' ' VAL . 66.6 t -55.01 -35.26 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.463 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.34 -42.41 93.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.474 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.29 -48.18 81.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.46 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.11 86.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.506 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 1.055 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.9 t -55.97 -43.58 75.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.527 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.89 -46.28 82.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.492 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.52 -60.01 6.71 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.443 -1.063 . . . . 0.0 110.443 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.32 -39.41 86.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.108 0.48 . . . . 0.0 110.441 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 1.055 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.6 mm -58.6 -44.29 89.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.549 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.505 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.8 -41.7 78.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.52 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.814 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.82 -50.0 75.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.571 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 1.169 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.93 -41.31 97.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.535 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.7 mt -74.96 -40.28 60.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.536 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.18 -33.42 29.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.513 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.814 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.44 -46.48 48.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.549 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 1.169 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.795 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.424 0 N-CA-C 109.986 -1.246 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.7 -43.95 79.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.119 0.485 . . . . 0.0 110.516 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.599 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.26 -39.74 85.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.506 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.04 -40.66 61.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.489 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.3 p -94.87 -1.2 53.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.475 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.599 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.71 -59.95 3.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.548 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.58 92.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.529 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.82 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.6 t -63.09 -41.65 93.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.486 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.0 -39.15 74.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.489 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.3 m -81.43 -48.04 12.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.504 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.58 -39.13 88.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.535 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 1.009 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.16 -45.8 85.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.492 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.7 m -64.49 -42.32 95.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.5 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 1.008 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.6 m-20 -68.58 -49.96 55.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.495 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 18' ' ' ASP . . . -82.97 -67.89 1.46 Allowed Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 1.009 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.84 -54.54 14.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.129 0.49 . . . . 0.0 110.458 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.09 -47.22 49.76 Favored Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 1.008 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.83 -14.39 2.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.15 0.5 . . . . 0.0 110.465 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.536 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.52 -42.62 95.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.491 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.73 -41.81 82.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.465 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.45 -41.63 79.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.533 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.599 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.24 -49.24 82.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.489 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.525 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.39 -44.18 90.98 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.706 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.79 -54.3 19.21 Favored Glycine 0 CA--C 1.52 0.367 0 N-CA-C 110.496 -1.041 . . . . 0.0 110.496 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.424 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.97 -39.75 72.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.138 0.494 . . . . 0.0 110.542 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.599 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.64 -45.03 46.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.493 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.706 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.03 -30.78 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.477 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.637 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.02 -23.72 73.73 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.74 -33.17 23.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.204 0.526 . . . . 0.0 110.514 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.6 mt -55.45 -30.83 61.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.505 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.728 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.8 t -54.93 -35.27 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.487 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.36 -42.4 93.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.516 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.28 -48.13 81.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.492 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.06 -41.15 87.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.473 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 1.041 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.9 t -55.87 -43.65 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.482 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.84 -46.26 82.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.542 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.49 -60.07 6.63 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.19 -39.57 86.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.15 0.5 . . . . 0.0 110.46 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 1.041 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.43 -44.41 88.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.533 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.535 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.72 -41.73 78.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.503 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.817 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.8 -50.03 75.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.563 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 1.163 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.9 -41.33 97.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.515 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.3 mt -74.98 -40.21 60.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.523 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.8 tpt180 -82.29 -33.4 29.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.482 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.817 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.48 -46.4 48.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.53 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 1.163 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.785 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.417 0 N-CA-C 110.026 -1.229 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.9 t -69.71 -43.92 79.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.152 0.501 . . . . 0.0 110.524 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.608 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.3 -39.73 84.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.497 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -52.04 -40.65 61.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.477 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.4 p -94.86 -1.24 53.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.485 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.608 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.76 -59.92 3.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.531 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.63 92.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.515 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.813 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.6 t -63.01 -41.66 93.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.519 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.0 -39.15 74.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.516 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.42 -47.98 12.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.569 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.63 -39.11 88.14 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.549 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 1.012 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.1 -45.87 85.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.508 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.1 m -64.49 -42.28 95.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.481 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.984 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.4 m-20 -68.65 -49.96 55.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.455 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.93 -67.9 1.46 Allowed Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 1.012 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.82 -54.54 14.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.126 0.488 . . . . 0.0 110.502 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.1 -47.27 49.66 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.984 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.76 -14.42 2.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.126 0.489 . . . . 0.0 110.485 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.527 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.58 -42.52 95.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.512 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.79 -41.79 82.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.455 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.422 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.46 -41.69 79.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.475 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.608 HG22 HD12 ' A' ' 26' ' ' ILE . 96.6 mt -64.23 -49.25 82.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.454 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.529 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.43 -44.13 90.99 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.686 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.82 -54.23 19.47 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.422 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.07 -39.69 72.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.103 0.478 . . . . 0.0 110.483 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.608 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.66 -45.05 45.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.483 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.686 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.0 -30.85 24.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.452 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.663 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.92 -23.74 73.89 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.78 -33.17 23.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.136 0.493 . . . . 0.0 110.486 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.7 mt -55.41 -30.82 61.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.528 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.726 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.4 t -54.98 -35.25 33.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.513 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.32 -42.4 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.481 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.35 -48.13 81.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.463 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.11 87.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.503 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 1.036 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.5 t -55.93 -43.63 75.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.478 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.91 -46.28 82.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.519 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.47 -60.02 6.67 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.29 -39.51 87.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.091 0.472 . . . . 0.0 110.424 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 1.036 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.53 -44.33 88.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.51 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.547 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.76 -41.66 78.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.534 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.817 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.8 m -59.88 -50.02 75.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.526 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 1.173 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.1 ttp -63.93 -41.31 97.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.52 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.4 mt -74.95 -40.23 60.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.516 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.547 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.28 -33.37 29.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.506 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.817 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.53 -46.42 47.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.506 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 1.173 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.806 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.465 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.3 t -69.69 -43.92 79.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.147 0.499 . . . . 0.0 110.523 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.603 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.31 -39.75 84.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.502 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -51.98 -40.73 61.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.467 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.0 p -94.83 -1.27 53.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.467 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.603 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.68 -59.94 3.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.572 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.58 92.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.497 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.81 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.8 t -63.03 -41.71 93.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.503 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.91 -39.22 74.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.52 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.0 m -81.38 -48.07 12.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.546 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.55 -39.14 88.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.54 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 1.015 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.12 -45.83 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.527 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.7 m -64.48 -42.3 95.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.491 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 1.017 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.5 m-20 -68.64 -49.96 55.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.498 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.92 -67.95 1.45 Allowed Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 1.015 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.79 -54.51 14.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.184 0.516 . . . . 0.0 110.504 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.15 -47.22 50.08 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 1.017 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.82 -14.39 2.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.103 0.477 . . . . 0.0 110.454 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.534 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.51 -42.63 95.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.473 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.73 -41.83 82.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.496 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.44 -41.7 79.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.497 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.603 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.2 -49.23 82.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.456 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.515 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.43 -44.19 90.87 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.693 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.78 -54.29 19.27 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.426 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 92.0 t80 -55.98 -39.76 72.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.154 0.502 . . . . 0.0 110.49 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.603 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.62 -45.07 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.49 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.693 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.03 -30.78 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.471 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.656 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.01 -23.75 73.7 Favored Glycine 0 CA--C 1.52 0.381 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.72 -33.17 23.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.197 0.522 . . . . 0.0 110.487 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.3 mt -55.45 -30.84 61.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.493 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.709 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.6 t -54.95 -35.25 33.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.455 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.35 -42.42 93.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.51 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.27 -48.18 81.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.486 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.99 -41.18 86.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.485 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 1.052 ' O ' HG12 ' A' ' 39' ' ' ILE . 67.0 t -55.94 -43.53 75.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.511 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.91 -46.33 82.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.455 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.51 -59.98 6.73 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.3 -39.48 87.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.078 0.466 . . . . 0.0 110.468 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 1.052 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.51 -44.37 88.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.528 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.536 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.7 -41.74 78.69 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.517 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.813 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.84 -50.0 75.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.564 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 1.174 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.9 -41.32 97.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.527 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.99 -40.23 60.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.491 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.536 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.29 -33.36 29.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.529 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.813 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.49 -46.47 47.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.515 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 1.174 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.803 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.515 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.5 t -69.69 -43.98 79.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.127 0.489 . . . . 0.0 110.509 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.601 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.27 -39.73 85.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.516 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.02 -40.67 61.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.486 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.3 p -94.89 -1.2 53.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.456 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.601 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.75 -59.93 3.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.505 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.04 -41.54 92.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.53 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.822 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.6 t -63.06 -41.67 93.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.529 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.97 -39.21 74.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.494 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.5 m -81.34 -48.08 12.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.575 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.57 -39.14 88.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.537 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 1.002 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.05 -45.9 85.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.499 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.3 m -64.48 -42.29 95.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.474 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 1.003 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.63 -49.94 55.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.485 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.97 -67.88 1.46 Allowed Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 1.002 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.79 -54.54 14.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.169 0.509 . . . . 0.0 110.528 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.14 -47.18 50.14 Favored Glycine 0 CA--C 1.52 0.393 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 1.003 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.79 -14.42 2.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.184 0.516 . . . . 0.0 110.495 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.529 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.59 -42.52 95.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.496 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.79 -41.8 82.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.434 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.47 -41.66 79.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.514 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.609 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.23 -49.25 82.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.458 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.53 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.42 -44.18 90.9 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.689 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.79 -54.3 19.17 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.426 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.97 -39.77 72.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.121 0.486 . . . . 0.0 110.487 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.609 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.65 -45.06 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.44 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.689 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.01 -30.79 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.446 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.651 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.0 -23.77 73.66 Favored Glycine 0 CA--C 1.52 0.372 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.66 -33.22 23.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.235 0.54 . . . . 0.0 110.545 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.3 mt -55.39 -30.87 61.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.475 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.724 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.6 t -54.97 -35.27 33.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.465 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.31 -42.45 93.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.458 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.3 -48.14 81.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.478 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.17 87.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.476 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 1.026 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.9 t -55.89 -43.57 75.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.559 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.29 82.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.523 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.45 -60.06 6.62 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.23 -39.52 86.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.112 0.482 . . . . 0.0 110.458 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 1.026 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.3 mm -58.47 -44.36 88.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.562 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.76 -41.7 78.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.54 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.821 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.9 m -59.86 -49.98 75.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.567 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 1.142 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.1 ttp -63.94 -41.27 97.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.556 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.96 -40.28 60.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.501 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.24 -33.35 29.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.518 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.821 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.52 -46.4 48.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.513 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 1.142 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.795 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.472 0 N-CA-C 109.986 -1.245 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.0 t -69.67 -43.93 79.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.132 0.491 . . . . 0.0 110.538 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.609 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.29 -39.74 85.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.542 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -52.03 -40.68 61.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.473 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.1 p -94.87 -1.22 53.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.48 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.609 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.73 -59.93 3.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.553 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.6 92.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.533 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.807 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.9 t -63.04 -41.7 93.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.507 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.98 -39.16 74.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.538 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.5 m -81.37 -48.02 12.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.56 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.65 -39.07 88.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.552 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 1.006 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.14 -45.85 85.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.507 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.1 m -64.49 -42.26 95.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.53 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 1.002 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.5 m-20 -68.63 -50.0 54.79 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.458 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.89 -67.94 1.45 Allowed Glycine 0 CA--C 1.52 0.381 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 1.006 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.85 -54.51 14.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.133 0.492 . . . . 0.0 110.474 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.08 -47.29 49.52 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 1.002 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.78 -14.36 2.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.091 0.472 . . . . 0.0 110.445 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.531 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.55 -42.65 95.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.522 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.68 -41.79 82.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.498 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.425 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.52 -41.63 79.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.499 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.605 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.21 -49.24 82.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.48 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.57 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.46 -44.21 90.74 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.466 -1.053 . . . . 0.0 110.466 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.636 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.74 -54.24 19.68 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.425 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 92.0 t80 -56.06 -39.73 72.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.183 0.516 . . . . 0.0 110.506 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.605 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.65 -45.05 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.461 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.4 t -74.98 -30.84 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.487 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.636 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.96 -23.75 73.79 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.76 -33.16 23.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.148 0.499 . . . . 0.0 110.49 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.5 mt -55.43 -30.85 61.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.504 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.726 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.7 t -54.92 -35.33 33.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.453 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.34 -42.42 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.495 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.26 -48.19 81.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.472 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.98 -41.15 86.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.518 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 1.045 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.4 t -55.91 -43.61 75.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.489 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.89 -46.29 82.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.517 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.51 -60.03 6.68 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.29 -39.43 86.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.119 0.485 . . . . 0.0 110.445 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 1.045 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.58 -44.37 89.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.514 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.545 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.72 -41.7 78.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.502 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.813 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.9 -49.99 75.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.516 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 1.17 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.92 -41.29 97.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.538 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.7 mt -74.97 -40.24 60.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.547 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.26 -33.38 29.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.517 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.813 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.5 -46.47 47.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.486 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 1.17 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.792 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.455 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.72 -43.97 79.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.134 0.492 . . . . 0.0 110.496 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.587 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.31 -39.73 84.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.467 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -52.02 -40.67 61.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.516 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.4 p -94.86 -1.24 53.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.465 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.587 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.4 t -48.66 -59.97 3.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.57 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.58 92.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.533 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.825 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.8 t -63.08 -41.68 93.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.501 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.94 -39.22 74.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.509 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.36 -48.05 12.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.543 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.58 -39.13 88.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.558 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 1.011 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.07 -45.85 85.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.539 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.7 m -64.52 -42.27 95.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.49 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 1.016 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.4 m-20 -68.64 -49.94 55.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.489 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.92 -67.91 1.46 Allowed Glycine 0 CA--C 1.52 0.376 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 1.011 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.83 -54.5 14.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.132 0.491 . . . . 0.0 110.506 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.13 -47.22 50.0 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 110.506 -1.037 . . . . 0.0 110.506 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 1.016 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.82 -14.37 2.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.117 0.484 . . . . 0.0 110.476 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.536 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.56 -42.58 95.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.526 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.73 -41.79 82.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.482 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.427 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.49 -41.69 79.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.475 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.601 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.19 -49.23 82.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.501 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.576 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.41 -44.25 90.81 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 110.48 -1.048 . . . . 0.0 110.48 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.656 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.73 -54.25 19.67 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.427 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.08 -39.74 72.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.149 0.499 . . . . 0.0 110.468 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.601 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.6 -45.07 46.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.483 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.6 t -75.0 -30.82 24.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.469 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.656 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.99 -23.73 73.79 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.72 -33.19 23.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.187 0.518 . . . . 0.0 110.506 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.6 mt -55.44 -30.84 61.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.481 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.726 ' O ' HG23 ' A' ' 35' ' ' VAL . 56.2 t -54.94 -35.26 33.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.468 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.34 -42.42 93.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.509 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.29 -48.15 81.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.468 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.16 87.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.467 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 1.061 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.8 t -55.88 -43.6 75.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.521 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.93 -46.3 82.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.457 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.48 -60.02 6.68 Favored Glycine 0 CA--C 1.52 0.403 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.3 -39.51 87.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.113 0.482 . . . . 0.0 110.428 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 1.061 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.46 -44.39 88.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.523 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.72 -41.73 78.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.504 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.819 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.88 -49.99 75.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.539 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 1.17 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.91 -41.29 97.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.529 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.95 -40.32 60.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.488 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.2 -33.38 29.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.547 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.819 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.48 -46.45 48.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.56 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 1.17 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.79 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.45 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.64 -43.94 79.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.114 0.483 . . . . 0.0 110.553 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.588 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.31 -39.73 84.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.491 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -52.03 -40.69 61.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.508 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.0 p -94.84 -1.19 53.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.479 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.588 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.74 -59.93 3.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.552 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.58 92.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.531 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.823 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.3 t -63.08 -41.67 93.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.516 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.97 -39.14 74.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.544 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.3 m -81.39 -48.02 12.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.559 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.6 -39.13 88.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.498 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 1.009 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.15 -45.83 85.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.473 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.6 m -64.49 -42.28 95.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.499 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 1.007 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.1 m-20 -68.64 -49.99 54.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.469 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.91 -67.93 1.45 Allowed Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 1.009 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.79 -54.52 14.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.167 0.508 . . . . 0.0 110.498 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.12 -47.26 49.83 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 1.007 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.81 -14.37 2.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.162 0.506 . . . . 0.0 110.455 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.529 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.57 -42.57 95.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.491 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.8 -41.72 82.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.487 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.52 -41.63 79.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.505 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.61 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.27 -49.24 81.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.466 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.572 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.37 -44.22 90.96 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.631 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.8 -54.2 19.67 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.418 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.07 -39.76 72.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.103 0.478 . . . . 0.0 110.449 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.61 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.61 -45.06 46.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.488 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.6 t -74.96 -30.84 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.485 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.631 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.02 -23.68 73.84 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.71 -33.24 23.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.178 0.513 . . . . 0.0 110.504 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.4 mt -55.39 -30.81 61.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.504 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.725 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.6 t -54.99 -35.26 33.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.458 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.34 -42.45 93.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.462 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.29 -48.14 81.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.452 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.15 87.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.505 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 1.057 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.5 t -55.88 -43.64 75.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.52 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.9 -46.28 82.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.504 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.5 -60.03 6.68 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.21 -39.51 86.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.14 0.495 . . . . 0.0 110.476 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 1.057 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.52 -44.32 88.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.552 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.545 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.78 -41.65 78.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.538 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.823 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.8 m -59.91 -49.99 75.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.5 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 1.159 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.1 ttp -63.93 -41.28 97.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.531 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.98 -40.31 60.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.47 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.2 -33.39 29.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.512 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.823 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.46 -46.47 48.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.524 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 1.159 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.805 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.446 0 N-CA-C 110.006 -1.237 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.5 t -69.69 -43.94 79.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.147 0.498 . . . . 0.0 110.54 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.593 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.3 -39.74 85.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.482 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -51.96 -40.73 61.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.476 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.1 p -94.92 -1.16 53.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.438 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.593 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.72 -59.94 3.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.538 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.54 92.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.537 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.82 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.6 t -63.1 -41.7 93.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.451 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.99 -39.16 74.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.49 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.37 -48.01 12.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.584 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.65 -39.09 88.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.513 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 1.015 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.14 -45.8 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.485 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.4 m -64.53 -42.3 95.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.502 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 1.012 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.55 -49.98 55.34 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.509 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.95 -67.87 1.46 Allowed Glycine 0 CA--C 1.52 0.39 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 1.015 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.84 -54.5 14.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.146 0.498 . . . . 0.0 110.487 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.14 -47.21 50.02 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 1.012 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.87 -14.33 2.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.179 0.514 . . . . 0.0 110.457 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.526 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.62 -42.59 95.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.479 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.68 -41.76 82.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.525 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.415 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.52 -41.63 79.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.521 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.604 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.25 -49.26 81.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.469 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.526 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.37 -44.23 90.93 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.686 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.77 -54.3 19.3 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 -179.922 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.415 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.01 -39.74 72.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.161 0.505 . . . . 0.0 110.501 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.604 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.64 -45.06 45.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.459 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.686 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.01 -30.78 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.468 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.663 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.05 -23.75 73.6 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.432 -1.067 . . . . 0.0 110.432 -179.92 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.68 -33.22 23.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.22 0.533 . . . . 0.0 110.51 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.3 mt -55.38 -30.86 61.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.472 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.709 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.4 t -54.96 -35.29 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.467 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.31 -42.4 93.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.489 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.38 -48.13 81.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.457 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.0 -41.16 86.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.5 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 1.042 ' O ' HG12 ' A' ' 39' ' ' ILE . 67.1 t -55.89 -43.61 75.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.515 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.93 -46.25 82.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.512 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.53 -60.0 6.72 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.27 -39.5 87.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.153 0.501 . . . . 0.0 110.464 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 1.042 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.56 -44.29 88.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.519 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.545 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.6 t80 -68.8 -41.7 78.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.515 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.806 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.84 -49.99 75.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.548 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 1.161 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -64.0 -41.22 97.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.544 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.99 -40.29 60.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.471 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.22 -33.41 29.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.488 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.806 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.48 -46.41 48.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.52 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 1.161 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.787 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.474 0 N-CA-C 110.025 -1.23 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.5 t -69.7 -43.94 79.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.154 0.502 . . . . 0.0 110.514 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.588 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.34 -39.73 84.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.468 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -51.99 -40.73 61.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.495 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.4 p -94.82 -1.24 53.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.478 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.588 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.73 -59.94 3.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.507 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.59 92.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.527 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.814 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.3 t -63.02 -41.69 93.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.529 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.93 -39.23 74.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.495 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.36 -48.08 12.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.557 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.58 -39.1 88.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.522 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 1.01 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.14 -45.86 85.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.481 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.5 m -64.49 -42.27 95.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.495 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 1.003 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.2 m-20 -68.61 -49.96 55.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.522 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.94 -67.92 1.45 Allowed Glycine 0 CA--C 1.52 0.37 0 N-CA-C 110.529 -1.028 . . . . 0.0 110.529 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 1.01 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.78 -54.49 14.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.211 0.529 . . . . 0.0 110.548 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.14 -47.24 49.95 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 1.003 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.81 -14.36 2.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.139 0.495 . . . . 0.0 110.457 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.532 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.58 -42.56 95.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.498 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.75 -41.8 82.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.489 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.49 -41.71 79.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.499 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.604 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.18 -49.26 82.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.478 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.52 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.35 -44.26 90.94 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 179.898 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.696 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.77 -54.27 19.44 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.424 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.02 -39.72 72.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.125 0.488 . . . . 0.0 110.53 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.604 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.61 -45.06 46.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.509 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.696 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.02 -30.8 23.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.472 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.659 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.97 -23.78 73.69 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.71 -33.18 23.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.171 0.51 . . . . 0.0 110.497 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.5 mt -55.42 -30.81 61.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.511 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.725 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.8 t -54.98 -35.23 33.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.456 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.38 -42.41 93.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.44 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.34 -48.1 81.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.479 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.07 -41.14 87.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.464 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 1.031 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.6 t -55.92 -43.57 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.525 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.28 82.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.518 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.48 -60.03 6.67 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.3 -39.48 87.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.093 0.473 . . . . 0.0 110.461 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 1.031 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.51 -44.34 88.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.565 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.75 -41.69 78.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.502 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.816 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.9 -49.95 75.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.543 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 1.168 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.95 -41.29 97.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.559 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.94 -40.27 60.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.55 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.24 -33.35 29.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.525 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.816 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.5 -46.43 47.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.526 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 1.168 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.805 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.512 0 N-CA-C 110.001 -1.239 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.7 -43.94 79.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.155 0.502 . . . . 0.0 110.531 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.608 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.3 -39.73 84.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.473 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -52.01 -40.67 61.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.512 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.9 p -94.92 -1.12 53.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.456 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.608 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.4 t -48.74 -59.95 3.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.516 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.04 -41.57 92.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.513 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.818 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.8 t -63.07 -41.65 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.502 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.98 -39.16 74.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.55 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.38 -48.06 12.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.536 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.62 -39.1 88.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.527 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.989 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.1 -45.89 85.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.484 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.5 m -64.46 -42.28 96.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.49 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.998 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.1 m-20 -68.66 -49.92 55.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.49 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.99 -67.87 1.46 Allowed Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.534 -1.027 . . . . 0.0 110.534 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.989 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.8 -54.56 14.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.185 0.517 . . . . 0.0 110.528 179.922 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.09 -47.23 49.71 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.998 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.8 -14.4 2.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.131 0.491 . . . . 0.0 110.446 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.529 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.56 -42.62 95.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.483 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.67 -41.81 82.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.468 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.428 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.52 -41.67 79.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.495 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.6 HG22 HD12 ' A' ' 26' ' ' ILE . 96.6 mt -64.21 -49.19 82.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.486 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.564 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.49 -44.18 90.73 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.456 -1.058 . . . . 0.0 110.456 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.657 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.79 -54.28 19.28 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.513 -1.035 . . . . 0.0 110.513 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.428 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.97 -39.74 72.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.11 0.481 . . . . 0.0 110.481 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.6 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.64 -45.09 45.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.467 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 23' ' ' GLY . 79.0 t -74.94 -30.83 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.478 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.657 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.99 -23.73 73.78 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.71 -33.22 23.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.218 0.532 . . . . 0.0 110.505 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.4 mt -55.43 -30.78 61.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.523 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.721 ' O ' HG23 ' A' ' 35' ' ' VAL . 66.5 t -55.01 -35.25 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.488 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.34 -42.43 93.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.446 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.28 -48.18 81.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.48 -179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.11 86.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.522 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 1.053 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.6 t -55.95 -43.53 75.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.515 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.94 -46.27 82.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.521 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.49 -60.03 6.67 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.28 -39.47 86.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.132 0.491 . . . . 0.0 110.442 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 1.053 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.3 mm -58.56 -44.34 89.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.516 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.74 -41.72 78.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.544 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.818 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.78 -50.08 75.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.538 179.929 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 1.158 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.92 -41.27 97.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.525 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.3 mt -75.0 -40.25 60.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.505 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.28 -33.32 29.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.517 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.818 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.51 -46.48 47.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.513 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 1.158 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.79 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.471 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.3 t -69.65 -43.96 79.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.136 0.493 . . . . 0.0 110.551 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.602 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.27 -39.72 84.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.496 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -52.06 -40.62 61.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.491 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.9 p -94.88 -1.21 53.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.454 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.602 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.4 t -48.79 -59.92 3.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.522 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.57 92.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.524 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.815 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.7 t -63.03 -41.67 93.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.513 179.928 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.0 -39.18 74.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.483 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.6 m -81.42 -48.0 12.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.543 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.65 -39.1 88.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.497 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 1.01 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.14 -45.84 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.496 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.9 m -64.47 -42.31 95.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.526 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 1.011 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.4 m-20 -68.6 -49.95 55.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.513 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.9 -67.9 1.46 Allowed Glycine 0 CA--C 1.52 0.366 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 1.01 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.84 -54.54 14.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.114 0.483 . . . . 0.0 110.482 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.13 -47.22 49.96 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 1.011 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.79 -14.4 2.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.157 0.503 . . . . 0.0 110.473 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.53 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.53 -42.61 95.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.51 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.79 -41.73 82.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.464 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.42 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.51 -41.73 79.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.458 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.601 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.19 -49.25 82.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.455 -179.935 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.575 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.43 -44.21 90.82 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.628 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.77 -54.23 19.65 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.42 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 92.0 t80 -56.06 -39.75 72.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.13 0.491 . . . . 0.0 110.495 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.601 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.64 -45.04 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.478 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.7 t -74.98 -30.82 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.48 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.628 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.04 -23.72 73.7 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -179.925 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.69 -33.18 23.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.235 0.541 . . . . 0.0 110.535 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.2 mt -55.38 -30.9 61.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.496 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.722 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.2 t -54.99 -35.18 33.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.477 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.4 -42.38 93.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.473 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.35 -48.13 81.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.466 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.07 -41.12 87.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.476 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 1.041 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.7 t -55.92 -43.59 75.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.483 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.89 -46.29 82.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.528 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.52 -60.01 6.7 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.27 -39.47 86.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.148 0.499 . . . . 0.0 110.5 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 1.041 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.5 -44.35 88.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.582 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.6 t80 -68.71 -41.75 78.64 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.523 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.816 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.83 -50.03 75.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.507 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 1.143 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.1 ttp -63.89 -41.32 97.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.57 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.4 mt -74.93 -40.29 60.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.507 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.2 -33.36 29.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.522 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.816 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.52 -46.43 47.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.517 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 1.143 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.807 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.433 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.68 -43.96 79.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.128 0.489 . . . . 0.0 110.528 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.603 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.27 -39.72 84.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.557 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.06 -40.62 61.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.539 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.4 p -94.88 -1.23 53.07 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.486 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.603 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.65 -60.0 3.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.533 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.6 92.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.531 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.823 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.8 t -63.01 -41.73 93.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.49 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.96 -39.17 74.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.501 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.2 m -81.4 -48.03 12.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.564 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.6 -39.12 88.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.568 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 1.01 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.07 -45.88 85.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.52 179.935 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.3 m -64.49 -42.3 95.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.491 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 1.013 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.64 -50.0 54.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.445 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 18' ' ' ASP . . . -82.86 -67.91 1.46 Allowed Glycine 0 CA--C 1.52 0.366 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 1.01 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.8 -54.52 14.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.17 0.51 . . . . 0.0 110.505 179.932 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.16 -47.23 50.13 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 1.013 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.8 -14.35 2.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.14 0.495 . . . . 0.0 110.508 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.533 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.63 -42.52 95.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.52 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.76 -41.77 82.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.488 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.52 -41.67 79.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.506 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.609 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.19 -49.27 81.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.454 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.576 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.4 -44.22 90.89 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.48 -1.048 . . . . 0.0 110.48 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.653 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.75 -54.31 19.32 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.418 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.97 -39.73 72.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.162 0.506 . . . . 0.0 110.527 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.609 HD12 HG22 ' A' ' 22' ' ' ILE . 96.6 mt -74.62 -45.09 45.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.468 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.6 t -74.99 -30.86 24.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.43 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.653 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.0 -23.67 73.95 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.79 -33.19 23.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.15 0.5 . . . . 0.0 110.47 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.6 mt -55.43 -30.84 61.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.49 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.719 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.9 t -54.95 -35.3 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.419 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.35 -42.4 93.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.478 -179.923 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.31 -48.14 81.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.5 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.14 87.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.521 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 1.056 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.9 t -55.93 -43.59 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.508 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.85 -46.32 82.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.504 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.53 -60.04 6.69 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.0 mt -60.24 -39.47 86.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.128 0.489 . . . . 0.0 110.495 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 1.056 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.55 -44.31 89.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.503 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.536 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.76 -41.74 78.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.523 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.821 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.84 -50.0 75.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.505 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 1.143 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.1 ttp -63.97 -41.29 97.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.493 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.7 mt -74.96 -40.28 60.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.477 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.536 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.26 -33.34 29.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.542 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.821 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.52 -46.46 47.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.54 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 1.143 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.808 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.463 0 N-CA-C 110.016 -1.234 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.67 -43.98 79.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.129 0.49 . . . . 0.0 110.516 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.607 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.23 -39.74 85.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.55 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.0 -40.66 61.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.517 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.1 p -94.92 -1.19 53.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.469 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.607 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.73 -59.99 3.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.5 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.97 -41.55 92.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.542 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.822 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 67.1 t -63.1 -41.69 93.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.496 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.97 -39.16 74.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.526 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.3 m -81.37 -48.05 12.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.574 179.928 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.63 -39.08 88.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.527 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 1.014 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.08 -45.9 85.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.522 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.8 m -64.47 -42.28 95.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.505 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 1.002 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.2 m-20 -68.61 -49.96 55.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.467 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.97 -67.91 1.45 Allowed Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 1.014 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.75 -54.56 14.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.143 0.497 . . . . 0.0 110.51 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.08 -47.26 49.57 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 1.002 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.84 -14.37 2.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.142 0.496 . . . . 0.0 110.456 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.529 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.51 -42.64 95.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.501 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.74 -41.79 82.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.466 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.44 -41.72 79.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.478 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.599 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.2 -49.25 82.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.455 -179.913 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.524 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.42 -44.17 90.93 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.689 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.8 -54.23 19.52 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.418 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.03 -39.7 72.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.169 0.509 . . . . 0.0 110.509 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.599 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.71 -45.04 45.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.436 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.689 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.02 -30.8 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.437 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.66 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.03 -23.75 73.63 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 -179.936 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.69 -33.2 23.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.199 0.523 . . . . 0.0 110.514 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.3 mt -55.41 -30.87 61.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.496 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.705 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.4 t -54.93 -35.25 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.512 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.31 -42.44 93.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.48 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.35 -48.12 81.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.429 -179.906 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.15 87.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.516 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 1.058 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.6 t -55.89 -43.56 74.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.551 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.94 -46.3 82.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.475 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.47 -60.05 6.65 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 110.446 -1.062 . . . . 0.0 110.446 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.26 -39.5 87.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.147 0.499 . . . . 0.0 110.456 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 1.058 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.52 -44.32 88.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.563 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.547 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.6 t80 -68.7 -41.73 78.71 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.559 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.812 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.9 -49.98 75.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.5 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 1.161 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.95 -41.24 97.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.542 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.98 -40.3 60.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.49 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.547 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.22 -33.41 29.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.497 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.812 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.46 -46.43 48.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.525 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 1.161 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.804 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.365 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -69.7 -43.92 79.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.635 -0.283 . . . . 0.0 110.549 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -66.29 -39.75 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.52 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . -51.99 -40.69 61.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.515 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -94.87 -1.2 53.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.484 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -48.72 -59.96 3.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.542 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.54 92.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.522 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -63.1 -41.64 93.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.507 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -56.95 -39.21 74.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.507 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -81.36 -48.1 12.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.523 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.55 -39.15 88.4 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.552 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -67.11 -45.77 85.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.543 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -64.57 -42.29 95.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.48 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -68.58 -49.95 55.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.509 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.95 -67.95 1.45 Allowed Glycine 0 CA--C 1.52 0.379 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . -48.8 -54.48 14.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.611 -0.294 . . . . 0.0 110.501 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.18 -47.2 50.27 Favored Glycine 0 CA--C 1.52 0.357 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . . . -55.81 -14.37 2.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.6 -0.3 . . . . 0.0 110.453 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . -64.53 -42.67 95.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.501 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -57.66 -41.84 82.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.504 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.44 -41.69 79.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.519 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -64.14 -49.29 82.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.51 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.37 -44.28 90.83 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.494 -1.042 . . . . 0.0 110.494 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.71 -54.28 19.62 Favored Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -55.99 -39.76 72.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.598 -0.301 . . . . 0.0 110.518 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -74.65 -45.0 46.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.463 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -75.05 -30.82 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.426 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.95 -23.76 73.78 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.75 -33.17 23.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.576 -0.312 . . . . 0.0 110.494 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -55.42 -30.86 61.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.485 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -54.9 -35.32 33.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.496 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -65.3 -42.41 93.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.505 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -62.3 -48.13 81.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.463 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.14 87.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.522 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -55.91 -43.57 75.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.526 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.91 -46.34 82.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.501 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.42 -60.03 6.64 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.484 -1.047 . . . . 0.0 110.484 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -60.31 -39.49 87.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.565 -0.317 . . . . 0.0 110.429 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -58.47 -44.39 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.556 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -68.71 -41.7 78.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.545 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -59.87 -50.03 75.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.536 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -63.88 -41.26 97.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.586 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -75.0 -40.26 60.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.495 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . -82.25 -33.4 29.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.514 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -73.48 -46.4 48.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.522 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.601 -0.727 . . . . 0.0 . -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 109.999 -1.241 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 77.9 t -69.66 -43.97 79.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.159 0.504 . . . . 0.0 110.511 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.593 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.29 -39.73 84.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.536 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -52.02 -40.65 61.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.511 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.3 p -94.91 -1.23 53.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.455 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.593 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.4 t -48.69 -59.96 3.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.55 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.57 92.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.516 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.811 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.8 t -63.02 -41.7 93.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.513 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.94 -39.21 74.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.511 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.38 -48.02 12.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.562 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.64 -39.1 88.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.494 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.996 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.18 -45.78 85.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.467 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.4 m -64.52 -42.34 95.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.467 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 1.011 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.1 m-20 -68.57 -50.02 54.91 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.481 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.9 -67.92 1.46 Allowed Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.996 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.8 -54.5 14.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.183 0.516 . . . . 0.0 110.528 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.15 -47.22 50.07 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 1.011 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.78 -14.41 2.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.169 0.509 . . . . 0.0 110.478 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.528 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.55 -42.59 95.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.511 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.73 -41.79 82.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.457 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.428 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.52 -41.63 79.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.504 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.588 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.26 -49.26 81.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.442 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.522 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.37 -44.19 91.03 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.696 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.8 -54.29 19.21 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.428 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.97 -39.8 72.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.146 0.498 . . . . 0.0 110.479 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.59 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 96.7 mt -74.62 -45.02 46.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.479 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.696 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.03 -30.8 23.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.477 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.662 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.01 -23.69 73.86 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.78 -33.15 23.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.132 0.491 . . . . 0.0 110.478 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.4 mt -55.45 -30.79 61.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.506 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.714 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.5 t -54.97 -35.27 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.504 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.34 -42.42 93.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.476 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.26 -48.19 81.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.489 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.95 -41.19 86.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.531 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 1.057 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.8 t -55.93 -43.52 75.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.546 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.97 -46.24 82.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.509 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.57 -59.98 6.76 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.0 mt -60.23 -39.52 86.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.117 0.484 . . . . 0.0 110.474 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 1.057 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.55 -44.32 89.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.504 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.505 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.77 -41.74 78.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.529 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.822 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.8 m -59.8 -49.99 75.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.557 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 1.16 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.94 -41.3 97.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.55 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.96 -40.27 60.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.499 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.27 -33.39 29.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.472 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.822 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.47 -46.45 48.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.519 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 1.16 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.819 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.448 0 N-CA-C 109.98 -1.248 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.65 -43.95 79.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.132 0.491 . . . . 0.0 110.526 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.609 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.32 -39.74 84.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.469 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -51.97 -40.7 61.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.509 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.3 p -94.84 -1.27 53.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.496 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.609 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.7 -59.97 3.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.509 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.58 92.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.486 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.817 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.5 t -63.07 -41.7 93.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.443 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.98 -39.13 74.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.509 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.1 m -81.38 -48.07 12.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.532 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.62 -39.06 88.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.561 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 1.014 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.12 -45.86 85.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.525 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.6 m -64.48 -42.3 95.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.521 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.992 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.0 m-20 -68.57 -49.98 55.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.503 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.94 -67.89 1.46 Allowed Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.549 -1.02 . . . . 0.0 110.549 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 1.014 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.83 -54.55 14.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.169 0.509 . . . . 0.0 110.493 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.12 -47.19 49.99 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.514 -1.035 . . . . 0.0 110.514 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.992 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.88 -14.34 2.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.159 0.504 . . . . 0.0 110.461 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.531 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.57 -42.62 95.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.469 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.72 -41.75 82.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.487 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.422 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.51 -41.66 79.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.526 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.604 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.18 -49.29 81.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.443 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.527 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.45 -44.13 90.94 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.708 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.82 -54.28 19.19 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.503 -1.039 . . . . 0.0 110.503 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.422 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.96 -39.77 72.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.113 0.482 . . . . 0.0 110.485 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.604 HD12 HG22 ' A' ' 22' ' ' ILE . 96.6 mt -74.63 -45.07 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.444 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.708 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.0 -30.79 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.482 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.654 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.03 -23.69 73.79 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.73 -33.25 23.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.182 0.515 . . . . 0.0 110.495 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.2 mt -55.38 -30.89 61.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.47 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.709 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.9 t -54.91 -35.28 33.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.502 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.32 -42.45 93.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.516 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.26 -48.17 81.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.461 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.04 -41.12 87.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.481 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 1.032 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.4 t -55.93 -43.62 75.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.518 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.84 -46.3 82.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.523 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.54 -60.0 6.73 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.29 -39.47 87.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.133 0.492 . . . . 0.0 110.457 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 1.032 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.53 -44.3 88.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.554 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.522 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.79 -41.67 78.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.535 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.809 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.88 -50.01 75.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.571 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 1.177 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.9 -41.29 97.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.557 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.97 -40.29 60.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.481 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.8 tpt180 -82.21 -33.39 29.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.523 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.809 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.5 -46.46 47.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.481 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 1.177 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.814 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.399 0 N-CA-C 110.016 -1.234 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.6 t -69.68 -43.98 79.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.145 0.498 . . . . 0.0 110.522 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.589 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.27 -39.74 85.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.511 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -52.02 -40.64 61.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.524 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.8 p -94.95 -1.16 53.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.444 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.589 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.4 t -48.72 -59.96 3.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.556 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.55 92.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.521 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.818 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.6 t -63.1 -41.65 93.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.482 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.02 -39.19 74.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.486 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.32 -48.1 12.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.566 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.58 -39.1 88.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.522 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 1.012 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.6 mm -67.13 -45.8 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.533 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.8 m -64.5 -42.35 95.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.48 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 1.007 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.61 -49.96 55.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.503 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.9 -67.93 1.46 Allowed Glycine 0 CA--C 1.52 0.39 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 1.012 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.78 -54.5 14.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.127 0.489 . . . . 0.0 110.506 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.19 -47.17 50.46 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 1.007 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.85 -14.35 2.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.145 0.498 . . . . 0.0 110.441 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.537 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.57 -42.64 95.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.461 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.72 -41.78 82.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.489 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.427 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.5 -41.67 79.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.516 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.607 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.21 -49.26 81.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.473 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.575 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.39 -44.23 90.89 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.625 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.73 -54.3 19.42 Favored Glycine 0 CA--C 1.52 0.381 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.427 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.99 -39.73 72.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.156 0.503 . . . . 0.0 110.518 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.607 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.69 -45.05 45.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.415 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.6 t -74.96 -30.85 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.46 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.625 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.01 -23.75 73.68 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.69 -33.17 23.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.182 0.515 . . . . 0.0 110.521 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.3 mt -55.45 -30.85 61.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.453 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.708 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.8 t -54.96 -35.22 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.49 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.35 -42.4 93.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.496 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.32 -48.17 81.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.444 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.07 -41.08 87.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.494 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 1.021 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.7 t -55.91 -43.58 75.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.54 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.9 -46.3 82.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.511 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.51 -60.01 6.7 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.23 -39.55 87.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.165 0.507 . . . . 0.0 110.488 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 1.021 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.49 -44.38 88.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.563 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.522 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.68 -41.73 78.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.502 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.818 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.86 -50.01 75.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.536 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 1.172 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.93 -41.26 97.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.568 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.98 -40.26 60.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.496 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.8 tpt180 -82.24 -33.39 29.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.494 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.818 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.49 -46.44 48.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.518 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 1.172 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.813 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.418 0 N-CA-C 110.011 -1.236 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.7 -43.99 79.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.119 0.485 . . . . 0.0 110.509 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.602 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.26 -39.73 85.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.526 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.04 -40.62 61.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.506 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.3 p -94.92 -1.22 53.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.445 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.602 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.73 -59.92 3.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.579 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.55 92.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.548 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.819 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.6 t -63.04 -41.73 93.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.512 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.94 -39.19 74.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.525 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.6 m -81.33 -48.06 12.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.579 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.62 -39.14 88.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.486 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 1.009 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.06 -45.85 85.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.532 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.6 m -64.51 -42.3 95.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.486 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 1.002 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.58 -49.97 55.28 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.532 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.92 -67.87 1.46 Allowed Glycine 0 CA--C 1.52 0.403 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 1.009 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.9 -54.47 15.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.118 0.485 . . . . 0.0 110.465 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.18 -47.14 50.47 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 1.002 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.9 -14.36 2.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.095 0.474 . . . . 0.0 110.42 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.527 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.53 -42.6 95.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.534 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.73 -41.8 82.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.433 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.422 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.5 -41.67 79.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.51 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.591 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.19 -49.24 82.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.478 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.521 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.44 -44.21 90.8 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.676 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.77 -54.25 19.55 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.422 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 92.0 t80 -56.04 -39.7 72.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.142 0.496 . . . . 0.0 110.508 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.591 HD12 HG22 ' A' ' 22' ' ' ILE . 96.6 mt -74.63 -45.04 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.485 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.676 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.09 -30.74 23.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.476 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.652 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.01 -23.75 73.69 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.72 -33.25 23.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.173 0.511 . . . . 0.0 110.458 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.4 mt -55.31 -30.9 61.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.497 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.5 t -54.97 -35.23 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.469 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.38 -42.42 93.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.459 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.34 -48.11 81.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.442 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.19 87.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.457 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 1.043 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.8 t -55.92 -43.57 75.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.467 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.95 -46.23 82.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.485 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.55 -60.0 6.73 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.32 -39.44 87.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.128 0.49 . . . . 0.0 110.471 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 1.043 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.53 -44.33 88.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.54 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.539 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.6 t80 -68.74 -41.75 78.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.51 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.821 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.81 -50.02 75.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.524 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 1.171 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.95 -41.29 97.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.523 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.92 -40.31 60.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.501 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.22 -33.37 29.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.506 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.821 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.49 -46.44 48.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.522 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 1.171 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.785 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.451 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.2 t -69.68 -43.97 79.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.139 0.495 . . . . 0.0 110.493 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.603 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.3 -39.74 84.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.509 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -52.01 -40.66 61.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.507 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.6 p -94.92 -1.19 53.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.433 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.603 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.72 -59.95 3.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.523 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.59 92.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.511 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.824 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.4 t -63.08 -41.64 93.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.507 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.98 -39.2 74.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.495 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.37 -48.01 12.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.572 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.6 -39.1 88.23 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.548 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 1.015 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.13 -45.84 85.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.503 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.3 m -64.47 -42.31 95.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.488 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.991 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.5 m-20 -68.64 -49.93 55.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.47 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.97 -67.85 1.46 Allowed Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 1.015 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.83 -54.52 14.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.165 0.507 . . . . 0.0 110.525 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.13 -47.22 49.98 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.991 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.86 -14.34 2.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.178 0.513 . . . . 0.0 110.479 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.53 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.51 -42.63 95.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.534 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.69 -41.84 82.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.477 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.422 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.47 -41.71 79.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.501 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.584 HG22 HD12 ' A' ' 26' ' ' ILE . 96.6 mt -64.14 -49.26 82.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.501 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.563 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.35 -44.28 90.88 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.491 -1.043 . . . . 0.0 110.491 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.655 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.76 -54.26 19.5 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.422 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.04 -39.73 72.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.147 0.498 . . . . 0.0 110.508 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.584 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.63 -45.08 45.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.442 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.6 t -74.99 -30.78 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.506 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.655 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.02 -23.71 73.78 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.77 -33.16 23.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.13 0.49 . . . . 0.0 110.461 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.5 mt -55.41 -30.84 61.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.487 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.726 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.4 t -54.99 -35.28 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.469 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.32 -42.41 93.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.485 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.32 -48.13 81.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.47 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.15 87.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.496 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 1.044 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.7 t -55.95 -43.55 75.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.5 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.94 -46.28 82.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.482 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.46 -60.11 6.59 Favored Glycine 0 CA--C 1.52 0.393 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.26 -39.47 86.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.101 0.476 . . . . 0.0 110.465 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 1.044 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.53 -44.36 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.495 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.54 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.72 -41.72 78.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.557 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.811 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.8 m -59.88 -49.97 75.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.545 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 1.176 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.95 -41.3 97.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.496 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.99 -40.27 60.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.522 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.23 -33.4 29.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.498 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.811 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.47 -46.42 48.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.518 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 1.176 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.825 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.527 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.69 -43.92 79.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.148 0.499 . . . . 0.0 110.543 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.605 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.27 -39.74 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.533 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.03 -40.64 61.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.509 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.3 p -94.92 -1.16 53.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.453 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.605 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.79 -59.94 3.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.503 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.61 92.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.516 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.822 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.2 t -63.07 -41.64 93.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.522 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.03 -39.14 74.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.509 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.6 m -81.39 -48.04 12.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.56 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.59 -39.14 88.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.522 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 1.005 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.12 -45.83 85.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.513 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.7 m -64.47 -42.34 95.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 1.018 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.54 -50.01 55.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.533 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.88 -67.89 1.46 Allowed Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.563 -1.015 . . . . 0.0 110.563 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 1.005 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.87 -54.47 15.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.171 0.51 . . . . 0.0 110.541 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.14 -47.2 50.06 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.504 -1.039 . . . . 0.0 110.504 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 1.018 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.84 -14.39 2.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.108 0.48 . . . . 0.0 110.44 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.532 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.52 -42.61 95.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.536 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.77 -41.77 82.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.444 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.47 -41.71 79.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.464 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.593 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.2 -49.27 81.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.466 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.52 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.37 -44.18 91.04 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.693 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.85 -54.23 19.36 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.426 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.03 -39.73 72.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.164 0.506 . . . . 0.0 110.483 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.593 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.67 -45.0 45.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.481 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.693 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.08 -30.78 23.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.444 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.659 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.0 -23.72 73.8 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.7 -33.24 23.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.135 0.493 . . . . 0.0 110.491 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.6 mt -55.39 -30.85 61.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.485 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.712 ' O ' HG23 ' A' ' 35' ' ' VAL . 67.0 t -55.01 -35.19 33.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.504 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.37 -42.43 93.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.467 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.29 -48.16 81.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.494 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.96 -41.18 86.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.52 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 1.058 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.6 t -55.94 -43.53 75.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.509 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.97 -46.26 82.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.46 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.5 -60.06 6.65 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.21 -39.49 86.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.138 0.495 . . . . 0.0 110.506 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 1.058 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.53 -44.31 88.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.54 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.516 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.79 -41.73 78.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.495 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.818 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.86 -49.98 75.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.555 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 1.165 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.87 -41.39 97.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.509 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.4 mt -74.94 -40.27 60.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.488 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.25 -33.38 29.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.496 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.818 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.45 -46.48 48.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.542 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 1.165 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.797 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.7 -43.96 79.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.161 0.505 . . . . 0.0 110.507 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.589 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.31 -39.74 84.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.5 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -52.03 -40.66 61.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.496 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.9 p -94.88 -1.2 53.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.44 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.589 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.73 -59.93 3.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.542 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.56 92.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.533 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.815 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.6 t -63.06 -41.68 93.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.504 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.94 -39.25 74.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.517 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.1 m -81.3 -48.1 12.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.562 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.58 -39.09 88.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.555 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.996 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.17 -45.77 85.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.492 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.3 m -64.53 -42.35 95.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.475 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.996 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.2 m-20 -68.54 -49.97 55.5 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.537 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.94 -67.85 1.46 Allowed Glycine 0 CA--C 1.52 0.381 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.996 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.83 -54.53 14.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.16 0.505 . . . . 0.0 110.527 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.13 -47.19 50.03 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.996 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.89 -14.37 2.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.142 0.496 . . . . 0.0 110.449 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.532 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.49 -42.65 95.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.528 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.7 -41.8 82.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.484 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.427 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.48 -41.67 79.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.492 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.608 HG22 HD12 ' A' ' 26' ' ' ILE . 96.6 mt -64.26 -49.25 81.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.448 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.522 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.4 -44.22 90.89 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.681 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.75 -54.28 19.45 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.427 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.01 -39.8 72.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.116 0.484 . . . . 0.0 110.456 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.608 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.6 -45.02 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.511 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.681 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.07 -30.75 23.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.448 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.663 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.03 -23.72 73.72 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.71 -33.2 23.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.163 0.506 . . . . 0.0 110.524 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.5 mt -55.39 -30.86 61.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.5 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.716 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.4 t -54.95 -35.29 33.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.491 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.29 -42.43 93.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.48 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.35 -48.08 81.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.48 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.19 87.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.523 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 1.041 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.8 t -55.9 -43.58 75.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.5 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.91 -46.27 82.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.489 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.55 -60.03 6.7 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.25 -39.47 86.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.129 0.49 . . . . 0.0 110.482 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 1.041 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.51 -44.38 89.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.554 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.5 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.73 -41.71 78.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.52 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.816 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.87 -50.0 75.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.563 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 1.146 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.85 -41.35 97.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.534 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.96 -40.25 60.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.521 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.28 -33.37 29.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.519 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.816 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.51 -46.42 48.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.513 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 1.146 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.823 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.46 0 N-CA-C 109.974 -1.251 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.8 t -69.66 -43.97 79.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.119 0.485 . . . . 0.0 110.526 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.605 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.26 -39.74 85.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.525 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -51.99 -40.71 61.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.493 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.4 p -94.88 -1.25 53.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.439 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.605 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.4 t -48.71 -59.95 3.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.511 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.04 -41.55 92.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.502 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.818 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.7 t -63.04 -41.7 93.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.518 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.96 -39.22 74.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.499 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.6 m -81.39 -47.99 12.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.562 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.61 -39.11 88.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.556 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 1.01 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.6 mm -67.11 -45.85 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.518 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.7 m -64.49 -42.31 95.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.513 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.996 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.4 m-20 -68.55 -50.01 55.14 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.515 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.89 -67.92 1.46 Allowed Glycine 0 CA--C 1.52 0.373 0 N-CA-C 110.544 -1.023 . . . . 0.0 110.544 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 1.01 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.7 tp60 -48.86 -54.51 15.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.117 0.484 . . . . 0.0 110.484 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.12 -47.23 49.87 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.501 -1.04 . . . . 0.0 110.501 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.996 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.7 m-20 -55.8 -14.37 2.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.147 0.498 . . . . 0.0 110.504 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.532 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.58 -42.64 95.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.467 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.68 -41.8 82.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.462 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.53 -41.61 79.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.498 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.605 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.25 -49.24 82.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.467 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.575 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.38 -44.24 90.92 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.647 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.77 -54.3 19.28 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.424 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.99 -39.75 72.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.153 0.501 . . . . 0.0 110.484 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.605 HD12 HG22 ' A' ' 22' ' ' ILE . 96.6 mt -74.61 -45.11 45.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.458 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.9 t -74.95 -30.89 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.47 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.647 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.9 -23.76 73.87 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.73 -33.19 23.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.19 0.519 . . . . 0.0 110.496 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.5 mt -55.36 -30.86 61.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.521 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.719 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.6 t -54.98 -35.26 33.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.494 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.31 -42.47 93.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.459 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.26 -48.18 81.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.459 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.04 -41.1 87.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.523 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 1.022 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.8 t -55.9 -43.59 75.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.541 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.29 82.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.498 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.47 -60.02 6.67 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.494 -1.042 . . . . 0.0 110.494 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.28 -39.53 87.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.076 0.465 . . . . 0.0 110.41 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 1.022 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.3 mm -58.48 -44.37 88.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.506 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.538 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.71 -41.75 78.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.539 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.816 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.8 -50.04 75.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.552 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 1.154 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.94 -41.24 97.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.565 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.4 mt -74.98 -40.24 60.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.541 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.538 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.25 -33.4 29.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.523 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.816 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.48 -46.46 48.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.504 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 1.154 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.806 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.42 0 N-CA-C 110.004 -1.238 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.6 t -69.66 -43.97 79.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.157 0.503 . . . . 0.0 110.525 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.6 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.23 -39.75 85.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.541 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -52.03 -40.68 61.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.503 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.7 p -94.83 -1.22 53.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.503 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.6 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.7 -59.93 3.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.552 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.52 92.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.518 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.812 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.8 t -63.09 -41.65 93.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.47 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.03 -39.14 74.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.499 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.2 m -81.41 -48.07 12.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.509 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.54 -39.19 88.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.547 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 1.009 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.08 -45.82 85.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.52 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.8 m -64.49 -42.33 95.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.51 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.992 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.2 m-20 -68.58 -49.98 55.26 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.499 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 18' ' ' ASP . . . -82.9 -67.93 1.46 Allowed Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.531 -1.027 . . . . 0.0 110.531 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 1.009 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.86 -54.47 15.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.169 0.509 . . . . 0.0 110.516 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.18 -47.2 50.3 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.486 -1.045 . . . . 0.0 110.486 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.992 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.83 -14.36 2.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.152 0.501 . . . . 0.0 110.455 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.531 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.55 -42.6 95.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.521 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.75 -41.78 82.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.471 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.416 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.5 -41.7 79.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.508 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.594 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.16 -49.25 82.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.512 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.573 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.41 -44.22 90.85 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.661 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.79 -54.24 19.48 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.493 -1.043 . . . . 0.0 110.493 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.416 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.03 -39.76 72.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.101 0.477 . . . . 0.0 110.444 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.594 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.61 -45.09 46.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.463 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.6 t -74.99 -30.82 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.439 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.661 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.98 -23.7 73.9 Favored Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.78 -33.15 23.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.194 0.521 . . . . 0.0 110.496 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.5 mt -55.45 -30.81 61.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.473 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.722 ' O ' HG23 ' A' ' 35' ' ' VAL . 66.7 t -55.0 -35.21 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.463 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.41 -42.4 93.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.463 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.31 -48.16 81.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.451 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.01 -41.13 86.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.51 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 1.012 ' O ' HG12 ' A' ' 39' ' ' ILE . 67.0 t -55.93 -43.63 75.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.484 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.86 -46.24 82.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.562 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.56 -60.02 6.72 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.421 -1.071 . . . . 0.0 110.421 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.0 mt -60.27 -39.52 87.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.098 0.475 . . . . 0.0 110.408 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 1.012 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.3 mm -58.48 -44.35 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.535 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.78 -41.68 78.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.506 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.823 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.8 m -59.83 -50.03 75.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.57 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 1.135 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.89 -41.28 97.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.598 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 91.9 mt -75.01 -40.24 60.73 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.531 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.25 -33.35 29.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.542 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.823 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.51 -46.45 47.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.55 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 1.135 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.79 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.447 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.2 t -69.65 -43.95 79.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.129 0.49 . . . . 0.0 110.535 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.599 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.26 -39.75 85.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.538 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -51.97 -40.75 61.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.472 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.4 p -94.88 -1.17 53.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.46 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.599 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.75 -59.97 3.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.519 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.57 92.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.522 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.813 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.4 t -63.05 -41.66 93.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.504 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.98 -39.19 74.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.515 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.39 -47.98 12.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.577 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.65 -39.11 88.08 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.518 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 1.014 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.15 -45.79 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.483 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.8 m -64.51 -42.3 95.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.517 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.983 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.2 m-20 -68.62 -49.92 55.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.525 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.96 -67.85 1.46 Allowed Glycine 0 CA--C 1.52 0.381 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 1.014 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.9 -54.44 15.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.142 0.496 . . . . 0.0 110.493 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.21 -47.18 50.53 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.983 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.86 -14.32 2.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.118 0.485 . . . . 0.0 110.458 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.525 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.6 -42.59 95.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.511 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.68 -41.85 82.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.481 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.413 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.49 -41.63 79.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.505 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.597 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.22 -49.22 82.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.476 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.562 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.43 -44.27 90.69 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.654 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.68 -54.3 19.56 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 110.511 -1.035 . . . . 0.0 110.511 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.413 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.02 -39.74 72.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.149 0.499 . . . . 0.0 110.47 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.597 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.63 -45.08 45.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.457 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.4 t -74.98 -30.78 24.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.486 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.654 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.02 -23.7 73.78 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.8 -33.16 23.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.178 0.513 . . . . 0.0 110.468 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.6 mt -55.44 -30.83 61.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.491 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.727 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.7 t -54.98 -35.22 33.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.488 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.35 -42.37 93.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.519 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.3 -48.18 81.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.473 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.07 -41.08 87.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.507 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 1.037 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.9 t -55.93 -43.59 75.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.515 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.23 82.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.517 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.6 -59.99 6.76 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.27 -39.48 86.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.13 0.491 . . . . 0.0 110.493 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 1.037 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.47 -44.36 88.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.565 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.535 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.77 -41.69 78.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.496 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.81 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.87 -49.95 75.7 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.549 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 1.137 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.1 ttp -63.98 -41.26 97.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.551 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.95 -40.25 60.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.544 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.8 tpt180 -82.28 -33.38 29.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.507 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.81 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.47 -46.4 48.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.574 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 1.137 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.806 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.513 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.3 t -69.66 -43.96 79.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.129 0.49 . . . . 0.0 110.549 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.59 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.27 -39.73 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.498 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.0 -40.67 61.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.477 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.5 p -94.93 -1.2 53.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.434 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.59 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.76 -59.94 3.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.525 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.55 92.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.531 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.823 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.7 t -63.04 -41.7 93.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.503 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.98 -39.19 74.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.505 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.6 m -81.35 -48.02 12.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.563 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.64 -39.08 88.11 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.545 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 1.013 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.13 -45.85 85.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.482 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.5 m -64.51 -42.24 95.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.498 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 1.019 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.2 m-20 -68.66 -49.98 54.79 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.471 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.9 -67.93 1.46 Allowed Glycine 0 CA--C 1.52 0.374 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 1.013 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.7 tp60 -48.79 -54.54 14.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.178 0.514 . . . . 0.0 110.494 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.08 -47.26 49.56 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 1.019 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.77 -14.39 2.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.115 0.483 . . . . 0.0 110.466 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.536 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.58 -42.59 95.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.479 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.76 -41.76 82.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.498 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.423 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.48 -41.69 79.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.47 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.6 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.18 -49.27 82.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.483 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.561 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.43 -44.21 90.81 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 110.469 -1.053 . . . . 0.0 110.469 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.647 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.78 -54.23 19.61 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.423 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.03 -39.78 72.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.106 0.479 . . . . 0.0 110.471 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.6 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.61 -45.11 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.434 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.7 t -74.96 -30.82 24.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.456 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.647 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.99 -23.75 73.72 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.72 -33.2 23.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.18 0.514 . . . . 0.0 110.487 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.6 mt -55.39 -30.86 61.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.469 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.711 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.7 t -54.96 -35.27 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.46 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.35 -42.45 93.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.452 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.3 -48.14 81.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.47 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.01 -41.16 87.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.494 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 1.057 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.7 t -55.92 -43.61 75.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.518 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.85 -46.32 82.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.539 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.46 -60.06 6.63 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.28 -39.47 86.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.111 0.482 . . . . 0.0 110.427 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 1.057 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.53 -44.36 89.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.53 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.523 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.73 -41.65 78.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.56 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.813 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.89 -49.97 75.63 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.574 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 1.153 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.1 ttp -63.95 -41.26 97.64 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.585 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.96 -40.29 60.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.53 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.19 -33.41 29.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.559 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.813 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.49 -46.43 48.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.544 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 1.153 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.804 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.502 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.66 -43.93 79.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.157 0.504 . . . . 0.0 110.557 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.611 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.3 -39.72 84.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.509 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.07 -40.61 61.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.489 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.1 p -94.96 -1.15 53.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.44 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.611 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.76 -59.93 3.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.52 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.53 92.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.534 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.816 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.9 t -63.12 -41.67 93.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.463 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.98 -39.17 74.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.503 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.6 m -81.4 -48.02 12.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.54 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.56 -39.13 88.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.58 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.991 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.17 -45.81 85.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.471 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.6 m -64.54 -42.25 95.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.531 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 1.001 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.62 -49.94 55.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.525 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.94 -67.92 1.45 Allowed Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.991 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.85 -54.5 15.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.122 0.487 . . . . 0.0 110.461 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.09 -47.3 49.52 Favored Glycine 0 CA--C 1.52 0.356 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 1.001 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.73 -14.4 2.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.098 0.475 . . . . 0.0 110.483 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.527 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.57 -42.59 95.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.488 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.75 -41.83 82.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.443 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.427 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.45 -41.67 79.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.496 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.608 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.21 -49.24 82.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.461 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.558 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.46 -44.17 90.83 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.658 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.81 -54.28 19.23 Favored Glycine 0 CA--C 1.521 0.447 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.427 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.0 -39.73 72.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.106 0.479 . . . . 0.0 110.516 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.608 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.65 -45.08 45.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.468 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.6 t -74.95 -30.81 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.495 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.658 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.07 -23.68 73.74 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.79 -33.16 23.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.162 0.506 . . . . 0.0 110.469 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.7 mt -55.38 -30.88 61.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.497 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.721 ' O ' HG23 ' A' ' 35' ' ' VAL . 66.3 t -55.0 -35.22 33.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.439 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.37 -42.47 93.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.444 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.27 -48.13 81.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.454 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.08 -41.11 87.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.446 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 1.026 ' O ' HG12 ' A' ' 39' ' ' ILE . 67.1 t -55.95 -43.56 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.514 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.93 -46.3 82.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.476 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.46 -60.01 6.67 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.499 -1.04 . . . . 0.0 110.499 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.3 -39.49 87.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.126 0.489 . . . . 0.0 110.463 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 1.026 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.51 -44.35 88.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.525 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.72 -41.78 78.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.525 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.82 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.8 -50.01 75.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.569 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 1.169 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.91 -41.36 97.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.484 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.4 mt -74.93 -40.26 60.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.514 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.26 -33.4 29.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.476 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.82 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.47 -46.41 48.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.531 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 1.169 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.808 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.63 -44.0 79.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.125 0.488 . . . . 0.0 110.513 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.592 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.26 -39.75 85.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.52 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -51.97 -40.69 61.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.495 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.9 p -94.89 -1.25 53.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.45 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.592 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.69 -59.93 3.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.576 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.58 92.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.516 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.82 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.5 t -63.05 -41.67 93.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.516 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.01 -39.16 74.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.516 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.3 m -81.34 -48.09 12.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.546 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.56 -39.16 88.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.513 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 1.011 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.6 mm -67.1 -45.84 85.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.517 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.9 m -64.51 -42.29 95.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.514 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 1.009 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.6 -49.95 55.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.475 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.96 -67.96 1.45 Allowed Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 1.011 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.77 -54.53 14.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.152 0.501 . . . . 0.0 110.511 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.14 -47.18 50.13 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 1.009 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.84 -14.4 2.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.122 0.487 . . . . 0.0 110.412 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.53 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.59 -42.55 95.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.521 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.73 -41.79 82.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.488 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.48 -41.7 79.73 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.447 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.605 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.22 -49.23 82.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.451 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.528 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.43 -44.2 90.84 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.711 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.82 -54.28 19.22 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.48 -1.048 . . . . 0.0 110.48 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.42 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.98 -39.78 72.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.174 0.511 . . . . 0.0 110.499 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.605 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.63 -45.02 46.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.455 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.711 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.02 -30.8 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.483 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.66 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.06 -23.65 73.85 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.82 -33.16 22.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.145 0.497 . . . . 0.0 110.472 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.5 mt -55.45 -30.78 61.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.494 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.725 ' O ' HG23 ' A' ' 35' ' ' VAL . 66.6 t -55.01 -35.26 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.463 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.34 -42.41 93.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.474 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.29 -48.18 81.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.46 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.11 86.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.506 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 1.055 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.9 t -55.97 -43.58 75.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.527 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.89 -46.28 82.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.492 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.52 -60.01 6.71 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.443 -1.063 . . . . 0.0 110.443 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.32 -39.41 86.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.108 0.48 . . . . 0.0 110.441 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 1.055 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.6 mm -58.6 -44.29 89.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.549 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.505 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.8 -41.7 78.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.52 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.814 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.82 -50.0 75.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.571 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 1.169 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.93 -41.31 97.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.535 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.7 mt -74.96 -40.28 60.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.536 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.18 -33.42 29.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.513 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.814 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.44 -46.48 48.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.549 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 1.169 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.795 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.424 0 N-CA-C 109.986 -1.246 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.7 -43.95 79.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.119 0.485 . . . . 0.0 110.516 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.599 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.26 -39.74 85.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.506 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.04 -40.66 61.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.489 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.3 p -94.87 -1.2 53.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.475 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.599 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.71 -59.95 3.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.548 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.58 92.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.529 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.82 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.6 t -63.09 -41.65 93.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.486 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.0 -39.15 74.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.489 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.3 m -81.43 -48.04 12.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.504 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.58 -39.13 88.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.535 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 1.009 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.16 -45.8 85.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.492 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.7 m -64.49 -42.32 95.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.5 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 1.008 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.6 m-20 -68.58 -49.96 55.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.495 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 18' ' ' ASP . . . -82.97 -67.89 1.46 Allowed Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 1.009 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.84 -54.54 14.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.129 0.49 . . . . 0.0 110.458 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.09 -47.22 49.76 Favored Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 1.008 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.83 -14.39 2.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.15 0.5 . . . . 0.0 110.465 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.536 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.52 -42.62 95.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.491 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.73 -41.81 82.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.465 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.45 -41.63 79.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.533 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.599 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.24 -49.24 82.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.489 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.525 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.39 -44.18 90.98 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.706 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.79 -54.3 19.21 Favored Glycine 0 CA--C 1.52 0.367 0 N-CA-C 110.496 -1.041 . . . . 0.0 110.496 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.424 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.97 -39.75 72.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.138 0.494 . . . . 0.0 110.542 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.599 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.64 -45.03 46.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.493 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.706 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.03 -30.78 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.477 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.637 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.02 -23.72 73.73 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.74 -33.17 23.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.204 0.526 . . . . 0.0 110.514 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.6 mt -55.45 -30.83 61.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.505 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.728 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.8 t -54.93 -35.27 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.487 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.36 -42.4 93.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.516 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.28 -48.13 81.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.492 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.06 -41.15 87.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.473 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 1.041 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.9 t -55.87 -43.65 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.482 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.84 -46.26 82.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.542 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.49 -60.07 6.63 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.19 -39.57 86.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.15 0.5 . . . . 0.0 110.46 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 1.041 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.43 -44.41 88.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.533 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.535 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.72 -41.73 78.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.503 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.817 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.8 -50.03 75.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.563 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 1.163 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.9 -41.33 97.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.515 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.3 mt -74.98 -40.21 60.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.523 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.8 tpt180 -82.29 -33.4 29.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.482 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.817 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.48 -46.4 48.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.53 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 1.163 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.785 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.417 0 N-CA-C 110.026 -1.229 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.9 t -69.71 -43.92 79.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.152 0.501 . . . . 0.0 110.524 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.608 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.3 -39.73 84.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.497 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -52.04 -40.65 61.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.477 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.4 p -94.86 -1.24 53.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.485 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.608 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.76 -59.92 3.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.531 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.63 92.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.515 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.813 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.6 t -63.01 -41.66 93.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.519 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.0 -39.15 74.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.516 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.42 -47.98 12.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.569 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.63 -39.11 88.14 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.549 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 1.012 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.1 -45.87 85.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.508 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.1 m -64.49 -42.28 95.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.481 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.984 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.4 m-20 -68.65 -49.96 55.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.455 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.93 -67.9 1.46 Allowed Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 1.012 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.82 -54.54 14.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.126 0.488 . . . . 0.0 110.502 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.1 -47.27 49.66 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.984 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.76 -14.42 2.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.126 0.489 . . . . 0.0 110.485 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.527 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.58 -42.52 95.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.512 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.79 -41.79 82.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.455 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.422 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.46 -41.69 79.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.475 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.608 HG22 HD12 ' A' ' 26' ' ' ILE . 96.6 mt -64.23 -49.25 82.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.454 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.529 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.43 -44.13 90.99 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.686 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.82 -54.23 19.47 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.422 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.07 -39.69 72.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.103 0.478 . . . . 0.0 110.483 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.608 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.66 -45.05 45.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.483 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.686 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.0 -30.85 24.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.452 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.663 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.92 -23.74 73.89 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.78 -33.17 23.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.136 0.493 . . . . 0.0 110.486 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.7 mt -55.41 -30.82 61.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.528 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.726 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.4 t -54.98 -35.25 33.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.513 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.32 -42.4 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.481 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.35 -48.13 81.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.463 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.11 87.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.503 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 1.036 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.5 t -55.93 -43.63 75.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.478 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.91 -46.28 82.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.519 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.47 -60.02 6.67 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.29 -39.51 87.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.091 0.472 . . . . 0.0 110.424 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 1.036 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.53 -44.33 88.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.51 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.547 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.76 -41.66 78.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.534 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.817 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.8 m -59.88 -50.02 75.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.526 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 1.173 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.1 ttp -63.93 -41.31 97.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.52 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.4 mt -74.95 -40.23 60.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.516 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.547 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.28 -33.37 29.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.506 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.817 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.53 -46.42 47.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.506 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 1.173 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.806 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.465 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.3 t -69.69 -43.92 79.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.147 0.499 . . . . 0.0 110.523 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.603 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.31 -39.75 84.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.502 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -51.98 -40.73 61.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.467 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.0 p -94.83 -1.27 53.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.467 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.603 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.68 -59.94 3.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.572 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.58 92.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.497 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.81 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.8 t -63.03 -41.71 93.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.503 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.91 -39.22 74.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.52 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.0 m -81.38 -48.07 12.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.546 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.55 -39.14 88.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.54 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 1.015 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.12 -45.83 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.527 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.7 m -64.48 -42.3 95.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.491 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 1.017 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.5 m-20 -68.64 -49.96 55.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.498 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.92 -67.95 1.45 Allowed Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 1.015 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.79 -54.51 14.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.184 0.516 . . . . 0.0 110.504 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.15 -47.22 50.08 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 1.017 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.82 -14.39 2.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.103 0.477 . . . . 0.0 110.454 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.534 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.51 -42.63 95.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.473 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.73 -41.83 82.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.496 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.44 -41.7 79.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.497 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.603 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.2 -49.23 82.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.456 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.515 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.43 -44.19 90.87 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.693 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.78 -54.29 19.27 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.426 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 92.0 t80 -55.98 -39.76 72.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.154 0.502 . . . . 0.0 110.49 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.603 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.62 -45.07 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.49 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.693 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.03 -30.78 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.471 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.656 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.01 -23.75 73.7 Favored Glycine 0 CA--C 1.52 0.381 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.72 -33.17 23.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.197 0.522 . . . . 0.0 110.487 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.3 mt -55.45 -30.84 61.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.493 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.709 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.6 t -54.95 -35.25 33.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.455 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.35 -42.42 93.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.51 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.27 -48.18 81.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.486 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.99 -41.18 86.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.485 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 1.052 ' O ' HG12 ' A' ' 39' ' ' ILE . 67.0 t -55.94 -43.53 75.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.511 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.91 -46.33 82.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.455 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.51 -59.98 6.73 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.3 -39.48 87.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.078 0.466 . . . . 0.0 110.468 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 1.052 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.51 -44.37 88.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.528 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.536 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.7 -41.74 78.69 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.517 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.813 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.84 -50.0 75.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.564 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 1.174 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.9 -41.32 97.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.527 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.99 -40.23 60.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.491 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.536 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.29 -33.36 29.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.529 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.813 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.49 -46.47 47.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.515 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 1.174 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.803 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.515 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.5 t -69.69 -43.98 79.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.127 0.489 . . . . 0.0 110.509 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.601 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.27 -39.73 85.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.516 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.02 -40.67 61.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.486 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.3 p -94.89 -1.2 53.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.456 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.601 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.75 -59.93 3.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.505 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.04 -41.54 92.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.53 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.822 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.6 t -63.06 -41.67 93.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.529 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.97 -39.21 74.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.494 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.5 m -81.34 -48.08 12.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.575 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.57 -39.14 88.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.537 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 1.002 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.05 -45.9 85.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.499 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.3 m -64.48 -42.29 95.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.474 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 1.003 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.63 -49.94 55.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.485 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.97 -67.88 1.46 Allowed Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 1.002 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.79 -54.54 14.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.169 0.509 . . . . 0.0 110.528 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.14 -47.18 50.14 Favored Glycine 0 CA--C 1.52 0.393 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 1.003 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.79 -14.42 2.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.184 0.516 . . . . 0.0 110.495 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.529 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.59 -42.52 95.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.496 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.79 -41.8 82.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.434 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.47 -41.66 79.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.514 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.609 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.23 -49.25 82.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.458 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.53 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.42 -44.18 90.9 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.689 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.79 -54.3 19.17 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.426 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.97 -39.77 72.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.121 0.486 . . . . 0.0 110.487 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.609 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.65 -45.06 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.44 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.689 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.01 -30.79 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.446 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.651 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.0 -23.77 73.66 Favored Glycine 0 CA--C 1.52 0.372 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.66 -33.22 23.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.235 0.54 . . . . 0.0 110.545 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.3 mt -55.39 -30.87 61.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.475 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.724 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.6 t -54.97 -35.27 33.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.465 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.31 -42.45 93.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.458 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.3 -48.14 81.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.478 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.17 87.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.476 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 1.026 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.9 t -55.89 -43.57 75.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.559 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.29 82.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.523 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.45 -60.06 6.62 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.23 -39.52 86.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.112 0.482 . . . . 0.0 110.458 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 1.026 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.3 mm -58.47 -44.36 88.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.562 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.76 -41.7 78.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.54 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.821 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.9 m -59.86 -49.98 75.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.567 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 1.142 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.1 ttp -63.94 -41.27 97.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.556 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.96 -40.28 60.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.501 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.24 -33.35 29.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.518 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.821 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.52 -46.4 48.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.513 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 1.142 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.795 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.472 0 N-CA-C 109.986 -1.245 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.0 t -69.67 -43.93 79.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.132 0.491 . . . . 0.0 110.538 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.609 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.29 -39.74 85.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.542 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -52.03 -40.68 61.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.473 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.1 p -94.87 -1.22 53.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.48 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.609 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.73 -59.93 3.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.553 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.6 92.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.533 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.807 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.9 t -63.04 -41.7 93.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.507 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.98 -39.16 74.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.538 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.5 m -81.37 -48.02 12.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.56 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.65 -39.07 88.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.552 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 1.006 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.14 -45.85 85.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.507 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.1 m -64.49 -42.26 95.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.53 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 1.002 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.5 m-20 -68.63 -50.0 54.79 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.458 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.89 -67.94 1.45 Allowed Glycine 0 CA--C 1.52 0.381 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 1.006 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.85 -54.51 14.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.133 0.492 . . . . 0.0 110.474 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.08 -47.29 49.52 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 1.002 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.78 -14.36 2.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.091 0.472 . . . . 0.0 110.445 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.531 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.55 -42.65 95.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.522 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.68 -41.79 82.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.498 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.425 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.52 -41.63 79.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.499 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.605 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.21 -49.24 82.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.48 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.57 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.46 -44.21 90.74 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.466 -1.053 . . . . 0.0 110.466 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.636 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.74 -54.24 19.68 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.425 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 92.0 t80 -56.06 -39.73 72.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.183 0.516 . . . . 0.0 110.506 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.605 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.65 -45.05 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.461 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.4 t -74.98 -30.84 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.487 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.636 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.96 -23.75 73.79 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.76 -33.16 23.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.148 0.499 . . . . 0.0 110.49 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.5 mt -55.43 -30.85 61.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.504 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.726 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.7 t -54.92 -35.33 33.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.453 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.34 -42.42 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.495 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.26 -48.19 81.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.472 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.98 -41.15 86.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.518 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 1.045 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.4 t -55.91 -43.61 75.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.489 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.89 -46.29 82.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.517 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.51 -60.03 6.68 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.29 -39.43 86.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.119 0.485 . . . . 0.0 110.445 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 1.045 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.58 -44.37 89.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.514 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.545 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.72 -41.7 78.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.502 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.813 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.9 -49.99 75.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.516 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 1.17 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.92 -41.29 97.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.538 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.7 mt -74.97 -40.24 60.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.547 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.26 -33.38 29.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.517 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.813 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.5 -46.47 47.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.486 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 1.17 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.792 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.455 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.72 -43.97 79.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.134 0.492 . . . . 0.0 110.496 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.587 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.31 -39.73 84.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.467 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -52.02 -40.67 61.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.516 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.4 p -94.86 -1.24 53.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.465 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.587 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.4 t -48.66 -59.97 3.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.57 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.58 92.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.533 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.825 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.8 t -63.08 -41.68 93.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.501 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.94 -39.22 74.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.509 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.36 -48.05 12.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.543 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.58 -39.13 88.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.558 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 1.011 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.07 -45.85 85.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.539 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.7 m -64.52 -42.27 95.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.49 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 1.016 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.4 m-20 -68.64 -49.94 55.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.489 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.92 -67.91 1.46 Allowed Glycine 0 CA--C 1.52 0.376 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 1.011 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.83 -54.5 14.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.132 0.491 . . . . 0.0 110.506 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.13 -47.22 50.0 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 110.506 -1.037 . . . . 0.0 110.506 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 1.016 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.82 -14.37 2.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.117 0.484 . . . . 0.0 110.476 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.536 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.56 -42.58 95.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.526 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.73 -41.79 82.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.482 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.427 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.49 -41.69 79.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.475 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.601 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.19 -49.23 82.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.501 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.576 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.41 -44.25 90.81 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 110.48 -1.048 . . . . 0.0 110.48 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.656 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.73 -54.25 19.67 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.427 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.08 -39.74 72.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.149 0.499 . . . . 0.0 110.468 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.601 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.6 -45.07 46.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.483 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.6 t -75.0 -30.82 24.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.469 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.656 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.99 -23.73 73.79 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.72 -33.19 23.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.187 0.518 . . . . 0.0 110.506 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.6 mt -55.44 -30.84 61.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.481 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.726 ' O ' HG23 ' A' ' 35' ' ' VAL . 56.2 t -54.94 -35.26 33.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.468 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.34 -42.42 93.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.509 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.29 -48.15 81.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.468 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.16 87.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.467 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 1.061 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.8 t -55.88 -43.6 75.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.521 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.93 -46.3 82.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.457 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.48 -60.02 6.68 Favored Glycine 0 CA--C 1.52 0.403 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.3 -39.51 87.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.113 0.482 . . . . 0.0 110.428 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 1.061 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.46 -44.39 88.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.523 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.72 -41.73 78.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.504 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.819 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.88 -49.99 75.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.539 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 1.17 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.91 -41.29 97.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.529 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.95 -40.32 60.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.488 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.2 -33.38 29.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.547 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.819 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.48 -46.45 48.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.56 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 1.17 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.79 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.45 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.64 -43.94 79.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.114 0.483 . . . . 0.0 110.553 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.588 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.31 -39.73 84.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.491 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -52.03 -40.69 61.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.508 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.0 p -94.84 -1.19 53.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.479 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.588 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.74 -59.93 3.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.552 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.58 92.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.531 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.823 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.3 t -63.08 -41.67 93.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.516 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.97 -39.14 74.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.544 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.3 m -81.39 -48.02 12.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.559 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.6 -39.13 88.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.498 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 1.009 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.15 -45.83 85.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.473 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.6 m -64.49 -42.28 95.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.499 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 1.007 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.1 m-20 -68.64 -49.99 54.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.469 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.91 -67.93 1.45 Allowed Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 1.009 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.79 -54.52 14.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.167 0.508 . . . . 0.0 110.498 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.12 -47.26 49.83 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 1.007 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.81 -14.37 2.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.162 0.506 . . . . 0.0 110.455 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.529 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.57 -42.57 95.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.491 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.8 -41.72 82.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.487 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.52 -41.63 79.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.505 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.61 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.27 -49.24 81.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.466 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.572 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.37 -44.22 90.96 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.631 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.8 -54.2 19.67 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.418 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.07 -39.76 72.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.103 0.478 . . . . 0.0 110.449 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.61 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.61 -45.06 46.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.488 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.6 t -74.96 -30.84 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.485 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.631 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.02 -23.68 73.84 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.71 -33.24 23.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.178 0.513 . . . . 0.0 110.504 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.4 mt -55.39 -30.81 61.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.504 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.725 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.6 t -54.99 -35.26 33.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.458 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.34 -42.45 93.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.462 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.29 -48.14 81.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.452 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.15 87.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.505 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 1.057 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.5 t -55.88 -43.64 75.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.52 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.9 -46.28 82.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.504 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.5 -60.03 6.68 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.21 -39.51 86.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.14 0.495 . . . . 0.0 110.476 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 1.057 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.52 -44.32 88.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.552 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.545 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.78 -41.65 78.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.538 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.823 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.8 m -59.91 -49.99 75.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.5 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 1.159 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.1 ttp -63.93 -41.28 97.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.531 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.98 -40.31 60.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.47 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.2 -33.39 29.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.512 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.823 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.46 -46.47 48.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.524 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 1.159 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.805 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.446 0 N-CA-C 110.006 -1.237 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.5 t -69.69 -43.94 79.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.147 0.498 . . . . 0.0 110.54 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.593 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.3 -39.74 85.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.482 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -51.96 -40.73 61.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.476 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.1 p -94.92 -1.16 53.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.438 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.593 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.72 -59.94 3.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.538 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.54 92.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.537 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.82 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.6 t -63.1 -41.7 93.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.451 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.99 -39.16 74.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.49 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.37 -48.01 12.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.584 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.65 -39.09 88.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.513 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 1.015 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.14 -45.8 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.485 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.4 m -64.53 -42.3 95.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.502 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 1.012 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.55 -49.98 55.34 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.509 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.95 -67.87 1.46 Allowed Glycine 0 CA--C 1.52 0.39 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 1.015 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.84 -54.5 14.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.146 0.498 . . . . 0.0 110.487 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.14 -47.21 50.02 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 1.012 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.87 -14.33 2.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.179 0.514 . . . . 0.0 110.457 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.526 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.62 -42.59 95.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.479 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.68 -41.76 82.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.525 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.415 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.52 -41.63 79.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.521 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.604 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.25 -49.26 81.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.469 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.526 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.37 -44.23 90.93 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.686 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.77 -54.3 19.3 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 -179.922 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.415 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.01 -39.74 72.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.161 0.505 . . . . 0.0 110.501 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.604 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.64 -45.06 45.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.459 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.686 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.01 -30.78 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.468 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.663 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.05 -23.75 73.6 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.432 -1.067 . . . . 0.0 110.432 -179.92 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.68 -33.22 23.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.22 0.533 . . . . 0.0 110.51 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.3 mt -55.38 -30.86 61.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.472 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.709 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.4 t -54.96 -35.29 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.467 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.31 -42.4 93.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.489 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.38 -48.13 81.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.457 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.0 -41.16 86.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.5 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 1.042 ' O ' HG12 ' A' ' 39' ' ' ILE . 67.1 t -55.89 -43.61 75.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.515 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.93 -46.25 82.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.512 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.53 -60.0 6.72 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.27 -39.5 87.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.153 0.501 . . . . 0.0 110.464 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 1.042 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.56 -44.29 88.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.519 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.545 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.6 t80 -68.8 -41.7 78.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.515 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.806 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.84 -49.99 75.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.548 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 1.161 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -64.0 -41.22 97.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.544 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.99 -40.29 60.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.471 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.22 -33.41 29.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.488 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.806 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.48 -46.41 48.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.52 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 1.161 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.787 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.474 0 N-CA-C 110.025 -1.23 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.5 t -69.7 -43.94 79.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.154 0.502 . . . . 0.0 110.514 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.588 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.34 -39.73 84.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.468 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -51.99 -40.73 61.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.495 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.4 p -94.82 -1.24 53.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.478 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.588 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.73 -59.94 3.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.507 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.59 92.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.527 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.814 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.3 t -63.02 -41.69 93.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.529 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.93 -39.23 74.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.495 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.36 -48.08 12.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.557 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.58 -39.1 88.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.522 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 1.01 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.14 -45.86 85.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.481 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.5 m -64.49 -42.27 95.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.495 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 1.003 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.2 m-20 -68.61 -49.96 55.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.522 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.94 -67.92 1.45 Allowed Glycine 0 CA--C 1.52 0.37 0 N-CA-C 110.529 -1.028 . . . . 0.0 110.529 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 1.01 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.78 -54.49 14.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.211 0.529 . . . . 0.0 110.548 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.14 -47.24 49.95 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 1.003 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.81 -14.36 2.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.139 0.495 . . . . 0.0 110.457 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.532 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.58 -42.56 95.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.498 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.75 -41.8 82.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.489 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.49 -41.71 79.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.499 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.604 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.18 -49.26 82.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.478 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.52 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.35 -44.26 90.94 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 179.898 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.696 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.77 -54.27 19.44 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.424 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.02 -39.72 72.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.125 0.488 . . . . 0.0 110.53 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.604 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.61 -45.06 46.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.509 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.696 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.02 -30.8 23.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.472 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.659 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.97 -23.78 73.69 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.71 -33.18 23.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.171 0.51 . . . . 0.0 110.497 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.5 mt -55.42 -30.81 61.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.511 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.725 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.8 t -54.98 -35.23 33.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.456 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.38 -42.41 93.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.44 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.34 -48.1 81.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.479 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.07 -41.14 87.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.464 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 1.031 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.6 t -55.92 -43.57 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.525 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.28 82.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.518 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.48 -60.03 6.67 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.3 -39.48 87.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.093 0.473 . . . . 0.0 110.461 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 1.031 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.51 -44.34 88.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.565 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.75 -41.69 78.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.502 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.816 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.9 -49.95 75.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.543 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 1.168 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.95 -41.29 97.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.559 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.94 -40.27 60.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.55 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.24 -33.35 29.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.525 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.816 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.5 -46.43 47.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.526 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 1.168 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.805 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.512 0 N-CA-C 110.001 -1.239 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.7 -43.94 79.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.155 0.502 . . . . 0.0 110.531 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.608 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.3 -39.73 84.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.473 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -52.01 -40.67 61.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.512 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.9 p -94.92 -1.12 53.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.456 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.608 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.4 t -48.74 -59.95 3.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.516 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.04 -41.57 92.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.513 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.818 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.8 t -63.07 -41.65 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.502 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.98 -39.16 74.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.55 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.38 -48.06 12.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.536 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.62 -39.1 88.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.527 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.989 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.1 -45.89 85.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.484 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.5 m -64.46 -42.28 96.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.49 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.998 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.1 m-20 -68.66 -49.92 55.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.49 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.99 -67.87 1.46 Allowed Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.534 -1.027 . . . . 0.0 110.534 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.989 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.8 -54.56 14.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.185 0.517 . . . . 0.0 110.528 179.922 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.09 -47.23 49.71 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.998 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.8 -14.4 2.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.131 0.491 . . . . 0.0 110.446 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.529 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.56 -42.62 95.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.483 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.67 -41.81 82.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.468 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.428 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.52 -41.67 79.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.495 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.6 HG22 HD12 ' A' ' 26' ' ' ILE . 96.6 mt -64.21 -49.19 82.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.486 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.564 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.49 -44.18 90.73 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.456 -1.058 . . . . 0.0 110.456 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.657 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.79 -54.28 19.28 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.513 -1.035 . . . . 0.0 110.513 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.428 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.97 -39.74 72.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.11 0.481 . . . . 0.0 110.481 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.6 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.64 -45.09 45.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.467 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 23' ' ' GLY . 79.0 t -74.94 -30.83 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.478 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.657 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.99 -23.73 73.78 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.71 -33.22 23.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.218 0.532 . . . . 0.0 110.505 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.4 mt -55.43 -30.78 61.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.523 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.721 ' O ' HG23 ' A' ' 35' ' ' VAL . 66.5 t -55.01 -35.25 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.488 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.34 -42.43 93.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.446 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.28 -48.18 81.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.48 -179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.11 86.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.522 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 1.053 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.6 t -55.95 -43.53 75.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.515 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.94 -46.27 82.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.521 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.49 -60.03 6.67 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.28 -39.47 86.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.132 0.491 . . . . 0.0 110.442 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 1.053 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.3 mm -58.56 -44.34 89.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.516 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.74 -41.72 78.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.544 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.818 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.78 -50.08 75.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.538 179.929 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 1.158 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.92 -41.27 97.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.525 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.3 mt -75.0 -40.25 60.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.505 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.28 -33.32 29.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.517 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.818 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.51 -46.48 47.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.513 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 1.158 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.79 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.471 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.3 t -69.65 -43.96 79.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.136 0.493 . . . . 0.0 110.551 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.602 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.27 -39.72 84.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.496 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -52.06 -40.62 61.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.491 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.9 p -94.88 -1.21 53.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.454 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.602 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.4 t -48.79 -59.92 3.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.522 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.57 92.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.524 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.815 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.7 t -63.03 -41.67 93.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.513 179.928 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.0 -39.18 74.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.483 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.6 m -81.42 -48.0 12.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.543 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.65 -39.1 88.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.497 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 1.01 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.14 -45.84 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.496 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.9 m -64.47 -42.31 95.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.526 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 1.011 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.4 m-20 -68.6 -49.95 55.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.513 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.9 -67.9 1.46 Allowed Glycine 0 CA--C 1.52 0.366 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 1.01 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.84 -54.54 14.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.114 0.483 . . . . 0.0 110.482 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.13 -47.22 49.96 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 1.011 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.79 -14.4 2.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.157 0.503 . . . . 0.0 110.473 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.53 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.53 -42.61 95.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.51 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.79 -41.73 82.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.464 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.51 -41.73 79.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.458 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.601 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.19 -49.25 82.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.455 -179.935 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.575 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.43 -44.21 90.82 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.628 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.77 -54.23 19.65 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.42 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 92.0 t80 -56.06 -39.75 72.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.13 0.491 . . . . 0.0 110.495 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.601 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.64 -45.04 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.478 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.7 t -74.98 -30.82 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.48 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.628 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.04 -23.72 73.7 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -179.925 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.69 -33.18 23.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.235 0.541 . . . . 0.0 110.535 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.2 mt -55.38 -30.9 61.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.496 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.722 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.2 t -54.99 -35.18 33.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.477 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.4 -42.38 93.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.473 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.35 -48.13 81.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.466 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.07 -41.12 87.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.476 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 1.041 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.7 t -55.92 -43.59 75.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.483 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.89 -46.29 82.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.528 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.52 -60.01 6.7 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.27 -39.47 86.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.148 0.499 . . . . 0.0 110.5 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 1.041 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.5 -44.35 88.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.582 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.6 t80 -68.71 -41.75 78.64 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.523 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.816 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.83 -50.03 75.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.507 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 1.143 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.1 ttp -63.89 -41.32 97.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.57 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.4 mt -74.93 -40.29 60.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.507 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.2 -33.36 29.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.522 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.816 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.52 -46.43 47.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.517 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 1.143 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.807 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.433 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.68 -43.96 79.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.128 0.489 . . . . 0.0 110.528 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.603 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.27 -39.72 84.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.557 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.06 -40.62 61.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.539 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.4 p -94.88 -1.23 53.07 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.486 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.603 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.65 -60.0 3.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.533 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.6 92.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.531 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.823 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.8 t -63.01 -41.73 93.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.49 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.96 -39.17 74.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.501 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.2 m -81.4 -48.03 12.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.564 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.6 -39.12 88.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.568 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 1.01 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.07 -45.88 85.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.52 179.935 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.3 m -64.49 -42.3 95.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.491 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 1.013 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.64 -50.0 54.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.445 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 18' ' ' ASP . . . -82.86 -67.91 1.46 Allowed Glycine 0 CA--C 1.52 0.366 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 1.01 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.8 -54.52 14.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.17 0.51 . . . . 0.0 110.505 179.932 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.16 -47.23 50.13 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 1.013 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.8 -14.35 2.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.14 0.495 . . . . 0.0 110.508 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.533 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.63 -42.52 95.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.52 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.76 -41.77 82.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.488 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.52 -41.67 79.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.506 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.609 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.19 -49.27 81.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.454 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.576 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.4 -44.22 90.89 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.48 -1.048 . . . . 0.0 110.48 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.653 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.75 -54.31 19.32 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.418 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.97 -39.73 72.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.162 0.506 . . . . 0.0 110.527 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.609 HD12 HG22 ' A' ' 22' ' ' ILE . 96.6 mt -74.62 -45.09 45.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.468 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.6 t -74.99 -30.86 24.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.43 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.653 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.0 -23.67 73.95 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.79 -33.19 23.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.15 0.5 . . . . 0.0 110.47 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.6 mt -55.43 -30.84 61.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.49 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.719 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.9 t -54.95 -35.3 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.419 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.35 -42.4 93.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.478 -179.923 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.31 -48.14 81.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.5 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.14 87.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.521 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 1.056 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.9 t -55.93 -43.59 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.508 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.85 -46.32 82.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.504 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.53 -60.04 6.69 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.0 mt -60.24 -39.47 86.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.128 0.489 . . . . 0.0 110.495 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 1.056 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.55 -44.31 89.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.503 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.536 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.76 -41.74 78.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.523 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.821 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.84 -50.0 75.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.505 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 1.143 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.1 ttp -63.97 -41.29 97.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.493 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.7 mt -74.96 -40.28 60.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.477 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.536 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.26 -33.34 29.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.542 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.821 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.52 -46.46 47.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.54 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 1.143 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.808 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.463 0 N-CA-C 110.016 -1.234 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.67 -43.98 79.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.129 0.49 . . . . 0.0 110.516 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.607 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.23 -39.74 85.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.55 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.0 -40.66 61.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.517 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.1 p -94.92 -1.19 53.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.469 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.607 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.73 -59.99 3.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.5 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.97 -41.55 92.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.542 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.822 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 67.1 t -63.1 -41.69 93.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.496 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.97 -39.16 74.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.526 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.3 m -81.37 -48.05 12.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.574 179.928 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.63 -39.08 88.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.527 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 1.014 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.08 -45.9 85.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.522 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.8 m -64.47 -42.28 95.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.505 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 1.002 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.2 m-20 -68.61 -49.96 55.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.467 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.97 -67.91 1.45 Allowed Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 1.014 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.75 -54.56 14.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.143 0.497 . . . . 0.0 110.51 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.08 -47.26 49.57 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 1.002 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.84 -14.37 2.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.142 0.496 . . . . 0.0 110.456 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.529 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.51 -42.64 95.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.501 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.74 -41.79 82.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.466 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.44 -41.72 79.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.478 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.599 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.2 -49.25 82.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.455 -179.913 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.524 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.42 -44.17 90.93 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.689 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.8 -54.23 19.52 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.418 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.03 -39.7 72.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.169 0.509 . . . . 0.0 110.509 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.599 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.71 -45.04 45.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.436 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.689 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.02 -30.8 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.437 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.66 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.03 -23.75 73.63 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 -179.936 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.69 -33.2 23.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.199 0.523 . . . . 0.0 110.514 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.3 mt -55.41 -30.87 61.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.496 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.705 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.4 t -54.93 -35.25 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.512 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.31 -42.44 93.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.48 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.35 -48.12 81.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.429 -179.906 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.15 87.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.516 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 1.058 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.6 t -55.89 -43.56 74.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.551 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.94 -46.3 82.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.475 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.47 -60.05 6.65 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 110.446 -1.062 . . . . 0.0 110.446 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.26 -39.5 87.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.147 0.499 . . . . 0.0 110.456 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 1.058 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.52 -44.32 88.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.563 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.547 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.6 t80 -68.7 -41.73 78.71 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.559 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.812 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.9 -49.98 75.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.5 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 1.161 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.95 -41.24 97.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.542 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.98 -40.3 60.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.49 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.547 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.22 -33.41 29.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.497 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.812 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.46 -46.43 48.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.525 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 1.161 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.804 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.365 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -69.7 -43.92 79.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.635 -0.283 . . . . 0.0 110.549 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -66.29 -39.75 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.52 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . -51.99 -40.69 61.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.515 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -94.87 -1.2 53.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.484 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -48.72 -59.96 3.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.542 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.54 92.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.522 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -63.1 -41.64 93.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.507 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -56.95 -39.21 74.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.507 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -81.36 -48.1 12.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.523 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.55 -39.15 88.4 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.552 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -67.11 -45.77 85.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.543 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -64.57 -42.29 95.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.48 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -68.58 -49.95 55.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.509 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.95 -67.95 1.45 Allowed Glycine 0 CA--C 1.52 0.379 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . -48.8 -54.48 14.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.611 -0.294 . . . . 0.0 110.501 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.18 -47.2 50.27 Favored Glycine 0 CA--C 1.52 0.357 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . . . -55.81 -14.37 2.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.6 -0.3 . . . . 0.0 110.453 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . -64.53 -42.67 95.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.501 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -57.66 -41.84 82.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.504 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.44 -41.69 79.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.519 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -64.14 -49.29 82.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.51 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.37 -44.28 90.83 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.494 -1.042 . . . . 0.0 110.494 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.71 -54.28 19.62 Favored Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -55.99 -39.76 72.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.598 -0.301 . . . . 0.0 110.518 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -74.65 -45.0 46.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.463 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -75.05 -30.82 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.426 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.95 -23.76 73.78 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.75 -33.17 23.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.576 -0.312 . . . . 0.0 110.494 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -55.42 -30.86 61.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.485 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -54.9 -35.32 33.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.496 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -65.3 -42.41 93.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.505 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -62.3 -48.13 81.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.463 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.14 87.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.522 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -55.91 -43.57 75.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.526 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.91 -46.34 82.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.501 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.42 -60.03 6.64 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.484 -1.047 . . . . 0.0 110.484 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -60.31 -39.49 87.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.565 -0.317 . . . . 0.0 110.429 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -58.47 -44.39 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.556 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -68.71 -41.7 78.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.545 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -59.87 -50.03 75.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.536 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -63.88 -41.26 97.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.586 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -75.0 -40.26 60.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.495 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . -82.25 -33.4 29.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.514 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -73.48 -46.4 48.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.522 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.601 -0.727 . . . . 0.0 . -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 109.999 -1.241 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 77.9 t -69.66 -43.97 79.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.159 0.504 . . . . 0.0 110.511 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.585 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.29 -39.73 84.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.536 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -52.02 -40.65 61.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.511 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.3 p -94.91 -1.23 53.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.455 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.585 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.4 t -48.69 -59.96 3.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.55 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.57 92.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.516 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.814 ' CG1' HG13 ' A' ' 12' ' ' ILE . 66.8 t -63.02 -41.7 93.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.513 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.94 -39.21 74.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.511 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.38 -48.02 12.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.562 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.64 -39.1 88.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.494 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 1.002 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.18 -45.78 85.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.467 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.4 m -64.52 -42.34 95.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.467 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 1.011 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.1 m-20 -68.57 -50.02 54.91 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.481 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.9 -67.92 1.46 Allowed Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 1.002 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.8 -54.5 14.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.183 0.516 . . . . 0.0 110.528 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.15 -47.22 50.07 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 1.011 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.78 -14.41 2.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.169 0.509 . . . . 0.0 110.478 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.528 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.55 -42.59 95.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.511 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.73 -41.79 82.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.457 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.428 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.52 -41.63 79.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.504 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.584 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.26 -49.26 81.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.442 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.527 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.37 -44.19 91.03 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.678 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.8 -54.29 19.21 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.428 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.97 -39.8 72.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.146 0.498 . . . . 0.0 110.479 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.594 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 96.7 mt -74.62 -45.02 46.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.479 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.678 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.03 -30.8 23.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.477 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.662 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.01 -23.69 73.86 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.78 -33.15 23.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.132 0.491 . . . . 0.0 110.478 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.4 mt -55.45 -30.79 61.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.506 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.5 t -54.97 -35.27 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.504 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.34 -42.42 93.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.476 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.26 -48.19 81.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.489 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.95 -41.19 86.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.531 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.061 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.8 t -55.93 -43.52 75.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.546 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.97 -46.24 82.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.509 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.57 -59.98 6.76 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.0 mt -60.23 -39.52 86.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.117 0.484 . . . . 0.0 110.474 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 1.061 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.55 -44.32 89.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.504 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.505 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.77 -41.74 78.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.529 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.822 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.8 m -59.8 -49.99 75.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.557 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . 1.16 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.94 -41.3 97.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.55 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.96 -40.27 60.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.499 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.27 -33.39 29.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.472 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.822 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.47 -46.45 48.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.519 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 1.16 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.819 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.448 0 N-CA-C 109.98 -1.248 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.65 -43.95 79.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.132 0.491 . . . . 0.0 110.526 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.596 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.32 -39.74 84.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.469 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -51.97 -40.7 61.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.509 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.3 p -94.84 -1.27 53.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.496 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.596 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.7 -59.97 3.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.509 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.58 92.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.486 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.817 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.5 t -63.07 -41.7 93.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.443 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.98 -39.13 74.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.509 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.1 m -81.38 -48.07 12.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.532 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.62 -39.06 88.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.561 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 1.013 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.12 -45.86 85.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.525 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.6 m -64.48 -42.3 95.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.521 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.992 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.0 m-20 -68.57 -49.98 55.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.503 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.94 -67.89 1.46 Allowed Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.549 -1.02 . . . . 0.0 110.549 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 1.013 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.83 -54.55 14.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.169 0.509 . . . . 0.0 110.493 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.12 -47.19 49.99 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.514 -1.035 . . . . 0.0 110.514 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.992 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.88 -14.34 2.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.159 0.504 . . . . 0.0 110.461 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.531 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.57 -42.62 95.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.469 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.72 -41.75 82.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.487 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.422 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.51 -41.66 79.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.526 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.601 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.18 -49.29 81.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.443 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.53 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.45 -44.13 90.94 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.693 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.82 -54.28 19.19 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.503 -1.039 . . . . 0.0 110.503 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.422 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.96 -39.77 72.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.113 0.482 . . . . 0.0 110.485 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.601 HD12 HG22 ' A' ' 22' ' ' ILE . 96.6 mt -74.63 -45.07 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.444 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.693 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.0 -30.79 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.482 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.654 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.03 -23.69 73.79 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.73 -33.25 23.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.182 0.515 . . . . 0.0 110.495 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.2 mt -55.38 -30.89 61.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.47 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.9 t -54.91 -35.28 33.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.502 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.32 -42.45 93.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.516 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.26 -48.17 81.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.461 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.04 -41.12 87.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.481 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.033 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.4 t -55.93 -43.62 75.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.518 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.84 -46.3 82.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.523 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.54 -60.0 6.73 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.29 -39.47 87.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.133 0.492 . . . . 0.0 110.457 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 1.033 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.53 -44.3 88.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.554 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.79 -41.67 78.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.535 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.809 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.88 -50.01 75.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.571 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . 1.177 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.9 -41.29 97.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.557 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.97 -40.29 60.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.481 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.8 tpt180 -82.21 -33.39 29.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.523 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.809 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.5 -46.46 47.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.481 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 1.177 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.814 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.399 0 N-CA-C 110.016 -1.234 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.6 t -69.68 -43.98 79.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.145 0.498 . . . . 0.0 110.522 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.594 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.27 -39.74 85.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.511 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -52.02 -40.64 61.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.524 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.8 p -94.95 -1.16 53.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.444 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.594 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.4 t -48.72 -59.96 3.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.556 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.55 92.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.521 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.818 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.6 t -63.1 -41.65 93.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.482 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.02 -39.19 74.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.486 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.32 -48.1 12.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.566 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.58 -39.1 88.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.522 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 1.02 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.6 mm -67.13 -45.8 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.533 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.8 m -64.5 -42.35 95.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.48 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 1.007 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.61 -49.96 55.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.503 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.9 -67.93 1.46 Allowed Glycine 0 CA--C 1.52 0.39 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 1.02 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.78 -54.5 14.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.127 0.489 . . . . 0.0 110.506 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.19 -47.17 50.46 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 1.007 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.85 -14.35 2.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.145 0.498 . . . . 0.0 110.441 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.537 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.57 -42.64 95.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.461 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.72 -41.78 82.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.489 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.427 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.5 -41.67 79.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.516 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.604 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.21 -49.26 81.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.473 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.579 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.39 -44.23 90.89 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.625 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.73 -54.3 19.42 Favored Glycine 0 CA--C 1.52 0.381 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.427 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.99 -39.73 72.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.156 0.503 . . . . 0.0 110.518 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.604 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.69 -45.05 45.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.415 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.6 t -74.96 -30.85 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.46 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.625 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.01 -23.75 73.68 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.69 -33.17 23.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.182 0.515 . . . . 0.0 110.521 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.3 mt -55.45 -30.85 61.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.453 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.711 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.8 t -54.96 -35.22 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.49 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.35 -42.4 93.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.496 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.32 -48.17 81.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.444 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.07 -41.08 87.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.494 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.033 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.7 t -55.91 -43.58 75.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.54 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.9 -46.3 82.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.511 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.51 -60.01 6.7 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.23 -39.55 87.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.165 0.507 . . . . 0.0 110.488 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 1.033 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.49 -44.38 88.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.563 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.522 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.68 -41.73 78.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.502 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.818 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.86 -50.01 75.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.536 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . 1.172 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.93 -41.26 97.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.568 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.98 -40.26 60.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.496 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.8 tpt180 -82.24 -33.39 29.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.494 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.818 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.49 -46.44 48.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.518 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 1.172 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.813 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.418 0 N-CA-C 110.011 -1.236 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.7 -43.99 79.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.119 0.485 . . . . 0.0 110.509 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.605 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.26 -39.73 85.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.526 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.04 -40.62 61.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.506 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.3 p -94.92 -1.22 53.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.445 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.605 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.73 -59.92 3.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.579 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.55 92.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.548 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.819 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.6 t -63.04 -41.73 93.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.512 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.94 -39.19 74.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.525 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.6 m -81.33 -48.06 12.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.579 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.62 -39.14 88.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.486 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 1.019 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.06 -45.85 85.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.532 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.6 m -64.51 -42.3 95.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.486 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 1.002 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.58 -49.97 55.28 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.532 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.92 -67.87 1.46 Allowed Glycine 0 CA--C 1.52 0.403 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 1.019 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.9 -54.47 15.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.118 0.485 . . . . 0.0 110.465 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.18 -47.14 50.47 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 1.002 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.9 -14.36 2.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.095 0.474 . . . . 0.0 110.42 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.527 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.53 -42.6 95.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.534 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.73 -41.8 82.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.433 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.422 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.5 -41.67 79.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.51 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.586 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.19 -49.24 82.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.478 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.524 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.44 -44.21 90.8 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.66 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.77 -54.25 19.55 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.422 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 92.0 t80 -56.04 -39.7 72.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.142 0.496 . . . . 0.0 110.508 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.59 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 96.6 mt -74.63 -45.04 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.485 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.66 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.09 -30.74 23.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.476 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.652 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.01 -23.75 73.69 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.72 -33.25 23.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.173 0.511 . . . . 0.0 110.458 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.4 mt -55.31 -30.9 61.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.497 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.715 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.5 t -54.97 -35.23 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.469 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.38 -42.42 93.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.459 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.34 -48.11 81.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.442 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.19 87.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.457 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.045 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.8 t -55.92 -43.57 75.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.467 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.95 -46.23 82.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.485 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.55 -60.0 6.73 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.32 -39.44 87.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.128 0.49 . . . . 0.0 110.471 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 1.045 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.53 -44.33 88.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.54 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.539 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.6 t80 -68.74 -41.75 78.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.51 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.821 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.81 -50.02 75.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.524 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . 1.171 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.95 -41.29 97.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.523 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.92 -40.31 60.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.501 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.22 -33.37 29.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.506 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.821 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.49 -46.44 48.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.522 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 1.171 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.785 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.451 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.2 t -69.68 -43.97 79.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.139 0.495 . . . . 0.0 110.493 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.605 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.3 -39.74 84.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.509 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -52.01 -40.66 61.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.507 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.6 p -94.92 -1.19 53.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.433 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.605 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.72 -59.95 3.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.523 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.59 92.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.511 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.824 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.4 t -63.08 -41.64 93.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.507 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.98 -39.2 74.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.495 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.37 -48.01 12.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.572 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.6 -39.1 88.23 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.548 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 1.023 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.13 -45.84 85.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.503 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.3 m -64.47 -42.31 95.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.488 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.991 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.5 m-20 -68.64 -49.93 55.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.47 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.97 -67.85 1.46 Allowed Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 1.023 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.83 -54.52 14.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.165 0.507 . . . . 0.0 110.525 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.13 -47.22 49.98 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.991 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.86 -14.34 2.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.178 0.513 . . . . 0.0 110.479 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.53 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.51 -42.63 95.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.534 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.69 -41.84 82.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.477 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.422 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.47 -41.71 79.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.501 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.582 HG22 HD12 ' A' ' 26' ' ' ILE . 96.6 mt -64.14 -49.26 82.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.501 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.567 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.35 -44.28 90.88 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.491 -1.043 . . . . 0.0 110.491 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.655 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.76 -54.26 19.5 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.422 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.04 -39.73 72.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.147 0.498 . . . . 0.0 110.508 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.582 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.63 -45.08 45.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.442 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.6 t -74.99 -30.78 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.506 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.655 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.02 -23.71 73.78 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.77 -33.16 23.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.13 0.49 . . . . 0.0 110.461 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.5 mt -55.41 -30.84 61.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.487 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.729 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.4 t -54.99 -35.28 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.469 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.32 -42.41 93.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.485 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.32 -48.13 81.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.47 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.15 87.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.496 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.06 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.7 t -55.95 -43.55 75.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.5 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.94 -46.28 82.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.482 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.46 -60.11 6.59 Favored Glycine 0 CA--C 1.52 0.393 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.26 -39.47 86.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.101 0.476 . . . . 0.0 110.465 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 1.06 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.53 -44.36 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.495 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.54 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.72 -41.72 78.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.557 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.811 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.8 m -59.88 -49.97 75.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.545 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . 1.176 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.95 -41.3 97.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.496 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.99 -40.27 60.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.522 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.23 -33.4 29.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.498 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.811 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.47 -46.42 48.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.518 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 1.176 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.825 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.527 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.69 -43.92 79.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.148 0.499 . . . . 0.0 110.543 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.591 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.27 -39.74 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.533 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.03 -40.64 61.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.509 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.3 p -94.92 -1.16 53.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.453 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.591 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.79 -59.94 3.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.503 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.61 92.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.516 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.822 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.2 t -63.07 -41.64 93.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.522 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.03 -39.14 74.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.509 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.6 m -81.39 -48.04 12.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.56 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.59 -39.14 88.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.522 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 1.01 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.12 -45.83 85.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.513 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.7 m -64.47 -42.34 95.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 1.018 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.54 -50.01 55.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.533 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.88 -67.89 1.46 Allowed Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.563 -1.015 . . . . 0.0 110.563 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 1.01 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.87 -54.47 15.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.171 0.51 . . . . 0.0 110.541 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.14 -47.2 50.06 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.504 -1.039 . . . . 0.0 110.504 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 1.018 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.84 -14.39 2.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.108 0.48 . . . . 0.0 110.44 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.532 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.52 -42.61 95.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.536 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.77 -41.77 82.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.444 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.47 -41.71 79.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.464 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.59 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.2 -49.27 81.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.466 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.524 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.37 -44.18 91.04 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.682 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.85 -54.23 19.36 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.426 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.03 -39.73 72.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.164 0.506 . . . . 0.0 110.483 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.59 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.67 -45.0 45.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.481 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.682 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.08 -30.78 23.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.444 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.659 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.0 -23.72 73.8 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.7 -33.24 23.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.135 0.493 . . . . 0.0 110.491 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.6 mt -55.39 -30.85 61.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.485 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.716 ' O ' HG23 ' A' ' 35' ' ' VAL . 67.0 t -55.01 -35.19 33.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.504 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.37 -42.43 93.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.467 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.29 -48.16 81.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.494 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.96 -41.18 86.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.52 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.062 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.6 t -55.94 -43.53 75.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.509 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.97 -46.26 82.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.46 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.5 -60.06 6.65 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.21 -39.49 86.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.138 0.495 . . . . 0.0 110.506 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 1.062 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.53 -44.31 88.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.54 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.516 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.79 -41.73 78.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.495 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.818 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.86 -49.98 75.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.555 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . 1.165 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.87 -41.39 97.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.509 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.4 mt -74.94 -40.27 60.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.488 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.25 -33.38 29.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.496 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.818 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.45 -46.48 48.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.542 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 1.165 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.797 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.7 -43.96 79.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.161 0.505 . . . . 0.0 110.507 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.583 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.31 -39.74 84.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.5 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -52.03 -40.66 61.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.496 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.9 p -94.88 -1.2 53.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.44 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.583 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.73 -59.93 3.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.542 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.56 92.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.533 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.815 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.6 t -63.06 -41.68 93.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.504 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.94 -39.25 74.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.517 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.1 m -81.3 -48.1 12.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.562 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.58 -39.09 88.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.555 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.999 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.17 -45.77 85.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.492 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.3 m -64.53 -42.35 95.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.475 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.996 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.2 m-20 -68.54 -49.97 55.5 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.537 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.94 -67.85 1.46 Allowed Glycine 0 CA--C 1.52 0.381 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.999 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.83 -54.53 14.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.16 0.505 . . . . 0.0 110.527 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.13 -47.19 50.03 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.996 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.89 -14.37 2.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.142 0.496 . . . . 0.0 110.449 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.532 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.49 -42.65 95.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.528 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.7 -41.8 82.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.484 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.427 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.48 -41.67 79.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.492 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.605 HG22 HD12 ' A' ' 26' ' ' ILE . 96.6 mt -64.26 -49.25 81.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.448 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.527 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.4 -44.22 90.89 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.665 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.75 -54.28 19.45 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.427 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.01 -39.8 72.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.116 0.484 . . . . 0.0 110.456 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.605 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.6 -45.02 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.511 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.665 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.07 -30.75 23.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.448 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.663 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.03 -23.72 73.72 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.71 -33.2 23.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.163 0.506 . . . . 0.0 110.524 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.5 mt -55.39 -30.86 61.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.5 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.718 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.4 t -54.95 -35.29 33.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.491 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.29 -42.43 93.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.48 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.35 -48.08 81.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.48 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.19 87.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.523 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.058 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.8 t -55.9 -43.58 75.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.5 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.91 -46.27 82.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.489 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.55 -60.03 6.7 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.25 -39.47 86.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.129 0.49 . . . . 0.0 110.482 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 1.058 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.51 -44.38 89.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.554 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.5 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.73 -41.71 78.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.52 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.816 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.87 -50.0 75.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.563 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . 1.146 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.85 -41.35 97.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.534 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.96 -40.25 60.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.521 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.28 -33.37 29.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.519 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.816 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.51 -46.42 48.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.513 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 1.146 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.823 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.46 0 N-CA-C 109.974 -1.251 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.8 t -69.66 -43.97 79.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.119 0.485 . . . . 0.0 110.526 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.59 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.26 -39.74 85.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.525 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -51.99 -40.71 61.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.493 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.4 p -94.88 -1.25 53.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.439 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.59 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.4 t -48.71 -59.95 3.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.511 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.04 -41.55 92.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.502 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.818 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.7 t -63.04 -41.7 93.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.518 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.96 -39.22 74.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.499 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.6 m -81.39 -47.99 12.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.562 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.61 -39.11 88.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.556 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 1.016 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.6 mm -67.11 -45.85 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.518 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.7 m -64.49 -42.31 95.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.513 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.996 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.4 m-20 -68.55 -50.01 55.14 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.515 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.89 -67.92 1.46 Allowed Glycine 0 CA--C 1.52 0.373 0 N-CA-C 110.544 -1.023 . . . . 0.0 110.544 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 1.016 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.86 -54.51 15.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.117 0.484 . . . . 0.0 110.484 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.12 -47.23 49.87 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.501 -1.04 . . . . 0.0 110.501 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.996 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.7 m-20 -55.8 -14.37 2.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.147 0.498 . . . . 0.0 110.504 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.532 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.58 -42.64 95.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.467 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.68 -41.8 82.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.462 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.53 -41.61 79.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.498 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.601 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.25 -49.24 82.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.467 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.58 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.38 -44.24 90.92 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.647 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.77 -54.3 19.28 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.424 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.99 -39.75 72.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.153 0.501 . . . . 0.0 110.484 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.601 HD12 HG22 ' A' ' 22' ' ' ILE . 96.6 mt -74.61 -45.11 45.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.458 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.9 t -74.95 -30.89 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.47 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.647 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.9 -23.76 73.87 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.73 -33.19 23.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.19 0.519 . . . . 0.0 110.496 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.5 mt -55.36 -30.86 61.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.521 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.72 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.6 t -54.98 -35.26 33.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.494 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.31 -42.47 93.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.459 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.26 -48.18 81.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.459 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.04 -41.1 87.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.523 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.028 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.8 t -55.9 -43.59 75.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.541 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.29 82.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.498 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.47 -60.02 6.67 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.494 -1.042 . . . . 0.0 110.494 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.28 -39.53 87.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.076 0.465 . . . . 0.0 110.41 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 1.028 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.3 mm -58.48 -44.37 88.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.506 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.508 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.71 -41.75 78.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.539 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.816 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.8 -50.04 75.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.552 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . 1.154 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.94 -41.24 97.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.565 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.4 mt -74.98 -40.24 60.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.541 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.25 -33.4 29.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.523 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.816 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.48 -46.46 48.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.504 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 1.154 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.806 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.42 0 N-CA-C 110.004 -1.238 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.6 t -69.66 -43.97 79.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.157 0.503 . . . . 0.0 110.525 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.597 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.23 -39.75 85.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.541 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -52.03 -40.68 61.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.503 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.7 p -94.83 -1.22 53.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.503 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.597 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.7 -59.93 3.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.552 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.52 92.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.518 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.812 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.8 t -63.09 -41.65 93.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.47 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.03 -39.14 74.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.499 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.2 m -81.41 -48.07 12.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.509 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.54 -39.19 88.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.547 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 1.018 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.08 -45.82 85.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.52 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.8 m -64.49 -42.33 95.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.51 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.992 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.2 m-20 -68.58 -49.98 55.26 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.499 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.9 -67.93 1.46 Allowed Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.531 -1.027 . . . . 0.0 110.531 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 1.018 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.86 -54.47 15.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.169 0.509 . . . . 0.0 110.516 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.18 -47.2 50.3 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.486 -1.045 . . . . 0.0 110.486 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.992 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.83 -14.36 2.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.152 0.501 . . . . 0.0 110.455 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.531 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.55 -42.6 95.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.521 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.75 -41.78 82.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.471 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.416 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.5 -41.7 79.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.508 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.591 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.16 -49.25 82.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.512 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.577 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.41 -44.22 90.85 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.618 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.79 -54.24 19.48 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.493 -1.043 . . . . 0.0 110.493 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.416 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.03 -39.76 72.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.101 0.477 . . . . 0.0 110.444 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.596 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 96.7 mt -74.61 -45.09 46.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.463 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.6 t -74.99 -30.82 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.439 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.618 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.98 -23.7 73.9 Favored Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.78 -33.15 23.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.194 0.521 . . . . 0.0 110.496 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.5 mt -55.45 -30.81 61.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.473 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.724 ' O ' HG23 ' A' ' 35' ' ' VAL . 66.7 t -55.0 -35.21 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.463 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.41 -42.4 93.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.463 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.31 -48.16 81.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.451 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.01 -41.13 86.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.51 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.023 ' O ' HG12 ' A' ' 39' ' ' ILE . 67.0 t -55.93 -43.63 75.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.484 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.86 -46.24 82.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.562 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.56 -60.02 6.72 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.421 -1.071 . . . . 0.0 110.421 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.0 mt -60.27 -39.52 87.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.098 0.475 . . . . 0.0 110.408 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 1.023 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.3 mm -58.48 -44.35 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.535 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.78 -41.68 78.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.506 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.823 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.8 m -59.83 -50.03 75.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.57 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . 1.135 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.89 -41.28 97.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.598 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 91.9 mt -75.01 -40.24 60.73 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.531 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.25 -33.35 29.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.542 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.823 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.51 -46.45 47.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.55 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 1.135 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.79 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.447 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.2 t -69.65 -43.95 79.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.129 0.49 . . . . 0.0 110.535 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.595 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.26 -39.75 85.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.538 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -51.97 -40.75 61.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.472 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.4 p -94.88 -1.17 53.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.46 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.595 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.75 -59.97 3.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.519 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.57 92.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.522 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.813 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.4 t -63.05 -41.66 93.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.504 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.98 -39.19 74.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.515 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.39 -47.98 12.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.577 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.65 -39.11 88.08 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.518 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 1.023 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.15 -45.79 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.483 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.8 m -64.51 -42.3 95.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.517 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.983 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.2 m-20 -68.62 -49.92 55.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.525 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.96 -67.85 1.46 Allowed Glycine 0 CA--C 1.52 0.381 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 1.023 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.9 -54.44 15.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.142 0.496 . . . . 0.0 110.493 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.21 -47.18 50.53 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.983 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.86 -14.32 2.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.118 0.485 . . . . 0.0 110.458 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.525 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.6 -42.59 95.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.511 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.68 -41.85 82.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.481 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.413 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.49 -41.63 79.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.505 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.595 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.22 -49.22 82.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.476 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.564 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.43 -44.27 90.69 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.654 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.68 -54.3 19.56 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 110.511 -1.035 . . . . 0.0 110.511 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.413 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.02 -39.74 72.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.149 0.499 . . . . 0.0 110.47 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.596 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 96.7 mt -74.63 -45.08 45.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.457 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.4 t -74.98 -30.78 24.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.486 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.654 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.02 -23.7 73.78 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.8 -33.16 23.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.178 0.513 . . . . 0.0 110.468 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.6 mt -55.44 -30.83 61.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.491 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.729 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.7 t -54.98 -35.22 33.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.488 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.35 -42.37 93.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.519 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.3 -48.18 81.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.473 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.07 -41.08 87.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.507 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.038 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.9 t -55.93 -43.59 75.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.515 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.23 82.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.517 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.6 -59.99 6.76 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.27 -39.48 86.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.13 0.491 . . . . 0.0 110.493 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 1.038 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.47 -44.36 88.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.565 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.535 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.77 -41.69 78.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.496 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.81 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.87 -49.95 75.7 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.549 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . 1.137 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.1 ttp -63.98 -41.26 97.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.551 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.95 -40.25 60.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.544 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.8 tpt180 -82.28 -33.38 29.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.507 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.81 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.47 -46.4 48.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.574 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 1.137 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.806 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.513 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.3 t -69.66 -43.96 79.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.129 0.49 . . . . 0.0 110.549 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.584 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.27 -39.73 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.498 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.0 -40.67 61.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.477 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.5 p -94.93 -1.2 53.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.434 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.584 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.76 -59.94 3.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.525 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.55 92.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.531 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.823 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.7 t -63.04 -41.7 93.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.503 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.98 -39.19 74.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.505 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.6 m -81.35 -48.02 12.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.563 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.64 -39.08 88.11 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.545 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 1.019 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.13 -45.85 85.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.482 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.5 m -64.51 -42.24 95.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.498 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 1.019 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.2 m-20 -68.66 -49.98 54.79 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.471 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.9 -67.93 1.46 Allowed Glycine 0 CA--C 1.52 0.374 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 1.019 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.79 -54.54 14.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.178 0.514 . . . . 0.0 110.494 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.08 -47.26 49.56 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 1.019 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.77 -14.39 2.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.115 0.483 . . . . 0.0 110.466 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.536 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.58 -42.59 95.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.479 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.76 -41.76 82.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.498 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.423 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.48 -41.69 79.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.47 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.598 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.18 -49.27 82.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.483 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.565 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.43 -44.21 90.81 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 110.469 -1.053 . . . . 0.0 110.469 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.642 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.78 -54.23 19.61 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.423 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.03 -39.78 72.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.106 0.479 . . . . 0.0 110.471 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.598 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.61 -45.11 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.434 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.7 t -74.96 -30.82 24.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.456 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.642 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.99 -23.75 73.72 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.72 -33.2 23.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.18 0.514 . . . . 0.0 110.487 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.6 mt -55.39 -30.86 61.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.469 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.715 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.7 t -54.96 -35.27 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.46 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.35 -42.45 93.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.452 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.3 -48.14 81.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.47 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.01 -41.16 87.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.494 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.061 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.7 t -55.92 -43.61 75.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.518 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.85 -46.32 82.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.539 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.46 -60.06 6.63 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.28 -39.47 86.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.111 0.482 . . . . 0.0 110.427 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 1.061 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.53 -44.36 89.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.53 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.523 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.73 -41.65 78.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.56 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.813 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.89 -49.97 75.63 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.574 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' MET . . . . . 1.153 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.1 ttp -63.95 -41.26 97.64 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.585 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.96 -40.29 60.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.53 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.19 -33.41 29.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.559 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.813 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.49 -46.43 48.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.544 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 1.153 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.804 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.502 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.66 -43.93 79.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.157 0.504 . . . . 0.0 110.557 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.598 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.3 -39.72 84.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.509 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.07 -40.61 61.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.489 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.1 p -94.96 -1.15 53.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.44 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.598 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.76 -59.93 3.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.52 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.53 92.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.534 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.816 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.9 t -63.12 -41.67 93.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.463 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.98 -39.17 74.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.503 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.6 m -81.4 -48.02 12.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.54 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.56 -39.13 88.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.58 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.996 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.17 -45.81 85.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.471 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.6 m -64.54 -42.25 95.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.531 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 1.001 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.62 -49.94 55.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.525 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.94 -67.92 1.45 Allowed Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.996 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.85 -54.5 15.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.122 0.487 . . . . 0.0 110.461 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.09 -47.3 49.52 Favored Glycine 0 CA--C 1.52 0.356 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 1.001 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.73 -14.4 2.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.098 0.475 . . . . 0.0 110.483 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.527 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.57 -42.59 95.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.488 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.75 -41.83 82.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.443 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.427 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.45 -41.67 79.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.496 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.605 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.21 -49.24 82.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.461 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.562 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.46 -44.17 90.83 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.634 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.81 -54.28 19.23 Favored Glycine 0 CA--C 1.521 0.447 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.427 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.0 -39.73 72.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.106 0.479 . . . . 0.0 110.516 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.605 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.65 -45.08 45.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.468 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.6 t -74.95 -30.81 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.495 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.634 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.07 -23.68 73.74 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.79 -33.16 23.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.162 0.506 . . . . 0.0 110.469 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.7 mt -55.38 -30.88 61.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.497 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.722 ' O ' HG23 ' A' ' 35' ' ' VAL . 66.3 t -55.0 -35.22 33.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.439 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.37 -42.47 93.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.444 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.27 -48.13 81.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.454 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.08 -41.11 87.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.446 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.031 ' O ' HG12 ' A' ' 39' ' ' ILE . 67.1 t -55.95 -43.56 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.514 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.93 -46.3 82.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.476 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.46 -60.01 6.67 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.499 -1.04 . . . . 0.0 110.499 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.3 -39.49 87.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.126 0.489 . . . . 0.0 110.463 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 1.031 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.51 -44.35 88.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.525 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.72 -41.78 78.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.525 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.82 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.8 -50.01 75.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.569 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' MET . . . . . 1.169 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.91 -41.36 97.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.484 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.4 mt -74.93 -40.26 60.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.514 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.26 -33.4 29.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.476 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.82 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.47 -46.41 48.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.531 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 1.169 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.808 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.63 -44.0 79.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.125 0.488 . . . . 0.0 110.513 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.584 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.26 -39.75 85.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.52 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -51.97 -40.69 61.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.495 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.9 p -94.89 -1.25 53.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.45 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.584 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.69 -59.93 3.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.576 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.58 92.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.516 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.82 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.5 t -63.05 -41.67 93.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.516 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.01 -39.16 74.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.516 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.3 m -81.34 -48.09 12.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.546 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.56 -39.16 88.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.513 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 1.012 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.6 mm -67.1 -45.84 85.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.517 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.9 m -64.51 -42.29 95.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.514 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 1.009 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.6 -49.95 55.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.475 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.96 -67.96 1.45 Allowed Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 1.012 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.77 -54.53 14.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.152 0.501 . . . . 0.0 110.511 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.14 -47.18 50.13 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 1.009 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.84 -14.4 2.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.122 0.487 . . . . 0.0 110.412 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.53 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.59 -42.55 95.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.521 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.73 -41.79 82.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.488 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.42 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.48 -41.7 79.73 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.447 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.601 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.22 -49.23 82.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.451 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.532 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.43 -44.2 90.84 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.695 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.82 -54.28 19.22 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.48 -1.048 . . . . 0.0 110.48 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.42 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.98 -39.78 72.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.174 0.511 . . . . 0.0 110.499 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.601 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.63 -45.02 46.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.455 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.695 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.02 -30.8 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.483 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.66 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.06 -23.65 73.85 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.82 -33.16 22.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.145 0.497 . . . . 0.0 110.472 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.5 mt -55.45 -30.78 61.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.494 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.727 ' O ' HG23 ' A' ' 35' ' ' VAL . 66.6 t -55.01 -35.26 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.463 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.34 -42.41 93.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.474 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.29 -48.18 81.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.46 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.11 86.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.506 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.066 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.9 t -55.97 -43.58 75.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.527 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.89 -46.28 82.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.492 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.52 -60.01 6.71 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.443 -1.063 . . . . 0.0 110.443 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.32 -39.41 86.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.108 0.48 . . . . 0.0 110.441 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 1.066 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.6 mm -58.6 -44.29 89.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.549 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.505 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.8 -41.7 78.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.52 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.814 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.82 -50.0 75.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.571 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' MET . . . . . 1.169 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.93 -41.31 97.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.535 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.7 mt -74.96 -40.28 60.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.536 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.18 -33.42 29.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.513 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.814 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.44 -46.48 48.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.549 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 1.169 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.795 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.424 0 N-CA-C 109.986 -1.246 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.7 -43.95 79.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.119 0.485 . . . . 0.0 110.516 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.602 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.26 -39.74 85.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.506 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.04 -40.66 61.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.489 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.3 p -94.87 -1.2 53.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.475 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.602 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.71 -59.95 3.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.548 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.58 92.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.529 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.82 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.6 t -63.09 -41.65 93.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.486 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.0 -39.15 74.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.489 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.3 m -81.43 -48.04 12.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.504 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.58 -39.13 88.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.535 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 1.021 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.16 -45.8 85.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.492 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.7 m -64.49 -42.32 95.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.5 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 1.008 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.6 m-20 -68.58 -49.96 55.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.495 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.97 -67.89 1.46 Allowed Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 1.021 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.84 -54.54 14.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.129 0.49 . . . . 0.0 110.458 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.09 -47.22 49.76 Favored Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 1.008 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.83 -14.39 2.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.15 0.5 . . . . 0.0 110.465 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.536 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.52 -42.62 95.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.491 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.73 -41.81 82.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.465 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.45 -41.63 79.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.533 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.597 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.24 -49.24 82.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.489 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.53 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.39 -44.18 90.98 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.69 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.79 -54.3 19.21 Favored Glycine 0 CA--C 1.52 0.367 0 N-CA-C 110.496 -1.041 . . . . 0.0 110.496 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.424 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.97 -39.75 72.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.138 0.494 . . . . 0.0 110.542 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.599 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 96.7 mt -74.64 -45.03 46.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.493 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.69 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.03 -30.78 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.477 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.637 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.02 -23.72 73.73 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.74 -33.17 23.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.204 0.526 . . . . 0.0 110.514 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.6 mt -55.45 -30.83 61.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.505 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.8 t -54.93 -35.27 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.487 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.36 -42.4 93.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.516 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.28 -48.13 81.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.492 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.06 -41.15 87.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.473 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.043 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.9 t -55.87 -43.65 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.482 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.84 -46.26 82.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.542 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.49 -60.07 6.63 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.19 -39.57 86.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.15 0.5 . . . . 0.0 110.46 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 1.043 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.43 -44.41 88.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.533 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.535 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.72 -41.73 78.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.503 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.817 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.8 -50.03 75.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.563 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' MET . . . . . 1.163 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.9 -41.33 97.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.515 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.3 mt -74.98 -40.21 60.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.523 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.8 tpt180 -82.29 -33.4 29.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.482 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.817 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.48 -46.4 48.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.53 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 1.163 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.785 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.417 0 N-CA-C 110.026 -1.229 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.9 t -69.71 -43.92 79.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.152 0.501 . . . . 0.0 110.524 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.609 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.3 -39.73 84.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.497 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -52.04 -40.65 61.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.477 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.4 p -94.86 -1.24 53.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.485 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.609 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.76 -59.92 3.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.531 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.63 92.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.515 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.813 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.6 t -63.01 -41.66 93.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.519 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.0 -39.15 74.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.516 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.42 -47.98 12.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.569 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.63 -39.11 88.14 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.549 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 1.022 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.1 -45.87 85.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.508 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.1 m -64.49 -42.28 95.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.481 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.984 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.4 m-20 -68.65 -49.96 55.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.455 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.93 -67.9 1.46 Allowed Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 1.022 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.82 -54.54 14.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.126 0.488 . . . . 0.0 110.502 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.1 -47.27 49.66 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.984 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.76 -14.42 2.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.126 0.489 . . . . 0.0 110.485 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.527 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.58 -42.52 95.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.512 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.79 -41.79 82.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.455 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.422 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.46 -41.69 79.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.475 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.605 HG22 HD12 ' A' ' 26' ' ' ILE . 96.6 mt -64.23 -49.25 82.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.454 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.534 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.43 -44.13 90.99 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.669 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.82 -54.23 19.47 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.422 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.07 -39.69 72.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.103 0.478 . . . . 0.0 110.483 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.605 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.66 -45.05 45.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.483 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.669 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.0 -30.85 24.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.452 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.663 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.92 -23.74 73.89 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.78 -33.17 23.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.136 0.493 . . . . 0.0 110.486 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.7 mt -55.41 -30.82 61.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.528 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.728 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.4 t -54.98 -35.25 33.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.513 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.32 -42.4 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.481 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.35 -48.13 81.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.463 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.11 87.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.503 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.035 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.5 t -55.93 -43.63 75.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.478 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.91 -46.28 82.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.519 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.47 -60.02 6.67 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.29 -39.51 87.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.091 0.472 . . . . 0.0 110.424 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 1.035 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.53 -44.33 88.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.51 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.522 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.76 -41.66 78.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.534 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.817 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.8 m -59.88 -50.02 75.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.526 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' MET . . . . . 1.173 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.1 ttp -63.93 -41.31 97.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.52 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.4 mt -74.95 -40.23 60.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.516 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.28 -33.37 29.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.506 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.817 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.53 -46.42 47.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.506 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 1.173 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.806 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.465 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.3 t -69.69 -43.92 79.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.147 0.499 . . . . 0.0 110.523 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.604 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.31 -39.75 84.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.502 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -51.98 -40.73 61.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.467 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.0 p -94.83 -1.27 53.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.467 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.604 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.68 -59.94 3.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.572 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.58 92.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.497 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.81 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.8 t -63.03 -41.71 93.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.503 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.91 -39.22 74.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.52 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.0 m -81.38 -48.07 12.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.546 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.55 -39.14 88.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.54 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 1.023 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.12 -45.83 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.527 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.7 m -64.48 -42.3 95.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.491 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 1.017 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.5 m-20 -68.64 -49.96 55.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.498 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.92 -67.95 1.45 Allowed Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 1.023 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.79 -54.51 14.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.184 0.516 . . . . 0.0 110.504 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.15 -47.22 50.08 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 1.017 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.82 -14.39 2.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.103 0.477 . . . . 0.0 110.454 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.534 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.51 -42.63 95.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.473 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.73 -41.83 82.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.496 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.44 -41.7 79.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.497 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.6 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.2 -49.23 82.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.456 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.52 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.43 -44.19 90.87 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.683 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.78 -54.29 19.27 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.426 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 92.0 t80 -55.98 -39.76 72.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.154 0.502 . . . . 0.0 110.49 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.6 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.62 -45.07 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.49 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.683 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.03 -30.78 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.471 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.656 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.01 -23.75 73.7 Favored Glycine 0 CA--C 1.52 0.381 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.72 -33.17 23.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.197 0.522 . . . . 0.0 110.487 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.3 mt -55.45 -30.84 61.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.493 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.6 t -54.95 -35.25 33.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.455 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.35 -42.42 93.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.51 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.27 -48.18 81.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.486 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.99 -41.18 86.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.485 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.055 ' O ' HG12 ' A' ' 39' ' ' ILE . 67.0 t -55.94 -43.53 75.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.511 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.91 -46.33 82.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.455 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.51 -59.98 6.73 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.3 -39.48 87.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.078 0.466 . . . . 0.0 110.468 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 1.055 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.51 -44.37 88.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.528 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.536 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.7 -41.74 78.69 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.517 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.813 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.84 -50.0 75.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.564 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' MET . . . . . 1.174 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.9 -41.32 97.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.527 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.99 -40.23 60.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.491 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.536 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.29 -33.36 29.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.529 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.813 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.49 -46.47 47.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.515 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 1.174 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.803 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.515 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.5 t -69.69 -43.98 79.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.127 0.489 . . . . 0.0 110.509 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.59 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.27 -39.73 85.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.516 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.02 -40.67 61.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.486 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.3 p -94.89 -1.2 53.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.456 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.59 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.75 -59.93 3.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.505 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.04 -41.54 92.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.53 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.822 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.6 t -63.06 -41.67 93.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.529 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.97 -39.21 74.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.494 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.5 m -81.34 -48.08 12.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.575 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.57 -39.14 88.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.537 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 1.007 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.05 -45.9 85.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.499 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.3 m -64.48 -42.29 95.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.474 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 1.003 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.63 -49.94 55.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.485 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.97 -67.88 1.46 Allowed Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 1.007 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.79 -54.54 14.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.169 0.509 . . . . 0.0 110.528 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.14 -47.18 50.14 Favored Glycine 0 CA--C 1.52 0.393 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 1.003 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.79 -14.42 2.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.184 0.516 . . . . 0.0 110.495 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.529 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.59 -42.52 95.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.496 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.79 -41.8 82.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.434 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.47 -41.66 79.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.514 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.606 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.23 -49.25 82.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.458 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.534 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.42 -44.18 90.9 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.679 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.79 -54.3 19.17 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.426 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.97 -39.77 72.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.121 0.486 . . . . 0.0 110.487 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.606 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.65 -45.06 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.44 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.679 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.01 -30.79 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.446 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.651 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.0 -23.77 73.66 Favored Glycine 0 CA--C 1.52 0.372 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.66 -33.22 23.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.235 0.54 . . . . 0.0 110.545 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.3 mt -55.39 -30.87 61.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.475 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.726 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.6 t -54.97 -35.27 33.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.465 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.31 -42.45 93.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.458 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.3 -48.14 81.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.478 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.17 87.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.476 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.028 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.9 t -55.89 -43.57 75.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.559 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.29 82.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.523 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.45 -60.06 6.62 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.23 -39.52 86.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.112 0.482 . . . . 0.0 110.458 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 1.028 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.3 mm -58.47 -44.36 88.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.562 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.76 -41.7 78.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.54 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.821 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.9 m -59.86 -49.98 75.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.567 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' MET . . . . . 1.142 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.1 ttp -63.94 -41.27 97.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.556 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.96 -40.28 60.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.501 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.24 -33.35 29.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.518 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.821 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.52 -46.4 48.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.513 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 1.142 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.795 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.472 0 N-CA-C 109.986 -1.245 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.0 t -69.67 -43.93 79.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.132 0.491 . . . . 0.0 110.538 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.599 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.29 -39.74 85.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.542 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -52.03 -40.68 61.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.473 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.1 p -94.87 -1.22 53.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.48 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.599 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.73 -59.93 3.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.553 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.6 92.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.533 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.812 ' CG1' HG13 ' A' ' 12' ' ' ILE . 66.9 t -63.04 -41.7 93.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.507 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.98 -39.16 74.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.538 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.5 m -81.37 -48.02 12.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.56 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.65 -39.07 88.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.552 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 1.006 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.14 -45.85 85.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.507 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.1 m -64.49 -42.26 95.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.53 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 1.002 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.5 m-20 -68.63 -50.0 54.79 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.458 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.89 -67.94 1.45 Allowed Glycine 0 CA--C 1.52 0.381 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 1.006 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.85 -54.51 14.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.133 0.492 . . . . 0.0 110.474 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.08 -47.29 49.52 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 1.002 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.78 -14.36 2.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.091 0.472 . . . . 0.0 110.445 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.531 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.55 -42.65 95.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.522 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.68 -41.79 82.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.498 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.425 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.52 -41.63 79.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.499 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.601 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.21 -49.24 82.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.48 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.573 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.46 -44.21 90.74 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.466 -1.053 . . . . 0.0 110.466 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.636 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.74 -54.24 19.68 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.425 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 92.0 t80 -56.06 -39.73 72.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.183 0.516 . . . . 0.0 110.506 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.601 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.65 -45.05 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.461 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.4 t -74.98 -30.84 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.487 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.636 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.96 -23.75 73.79 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.76 -33.16 23.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.148 0.499 . . . . 0.0 110.49 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.5 mt -55.43 -30.85 61.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.504 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.729 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.7 t -54.92 -35.33 33.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.453 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.34 -42.42 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.495 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.26 -48.19 81.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.472 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.98 -41.15 86.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.518 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.048 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.4 t -55.91 -43.61 75.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.489 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.89 -46.29 82.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.517 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.51 -60.03 6.68 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.29 -39.43 86.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.119 0.485 . . . . 0.0 110.445 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 1.048 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.58 -44.37 89.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.514 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.72 -41.7 78.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.502 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.813 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.9 -49.99 75.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.516 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' MET . . . . . 1.17 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.92 -41.29 97.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.538 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.7 mt -74.97 -40.24 60.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.547 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.26 -33.38 29.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.517 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.813 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.5 -46.47 47.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.486 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 1.17 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.792 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.455 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.72 -43.97 79.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.134 0.492 . . . . 0.0 110.496 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.581 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.31 -39.73 84.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.467 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -52.02 -40.67 61.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.516 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.4 p -94.86 -1.24 53.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.465 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.581 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.4 t -48.66 -59.97 3.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.57 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.58 92.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.533 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.825 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.8 t -63.08 -41.68 93.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.501 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.94 -39.22 74.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.509 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.36 -48.05 12.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.543 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.58 -39.13 88.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.558 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 1.018 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.07 -45.85 85.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.539 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.7 m -64.52 -42.27 95.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.49 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 1.016 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.4 m-20 -68.64 -49.94 55.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.489 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.92 -67.91 1.46 Allowed Glycine 0 CA--C 1.52 0.376 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 1.018 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.83 -54.5 14.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.132 0.491 . . . . 0.0 110.506 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.13 -47.22 50.0 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 110.506 -1.037 . . . . 0.0 110.506 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 1.016 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.82 -14.37 2.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.117 0.484 . . . . 0.0 110.476 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.536 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.56 -42.58 95.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.526 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.73 -41.79 82.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.482 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.427 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.49 -41.69 79.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.475 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.598 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.19 -49.23 82.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.501 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.58 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.41 -44.25 90.81 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 110.48 -1.048 . . . . 0.0 110.48 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.656 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.73 -54.25 19.67 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.427 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.08 -39.74 72.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.149 0.499 . . . . 0.0 110.468 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.598 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.6 -45.07 46.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.483 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.6 t -75.0 -30.82 24.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.469 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.656 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.99 -23.73 73.79 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.72 -33.19 23.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.187 0.518 . . . . 0.0 110.506 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.6 mt -55.44 -30.84 61.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.481 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.729 ' O ' HG23 ' A' ' 35' ' ' VAL . 56.2 t -54.94 -35.26 33.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.468 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.34 -42.42 93.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.509 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.29 -48.15 81.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.468 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.16 87.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.467 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.064 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.8 t -55.88 -43.6 75.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.521 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.93 -46.3 82.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.457 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.48 -60.02 6.68 Favored Glycine 0 CA--C 1.52 0.403 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.3 -39.51 87.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.113 0.482 . . . . 0.0 110.428 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 1.064 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.46 -44.39 88.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.523 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.72 -41.73 78.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.504 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.819 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.88 -49.99 75.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.539 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' MET . . . . . 1.17 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.91 -41.29 97.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.529 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.95 -40.32 60.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.488 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.2 -33.38 29.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.547 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.819 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.48 -46.45 48.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.56 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 1.17 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.79 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.45 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.64 -43.94 79.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.114 0.483 . . . . 0.0 110.553 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.592 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.31 -39.73 84.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.491 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -52.03 -40.69 61.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.508 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.0 p -94.84 -1.19 53.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.479 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.592 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.74 -59.93 3.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.552 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.58 92.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.531 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.823 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.3 t -63.08 -41.67 93.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.516 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.97 -39.14 74.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.544 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.3 m -81.39 -48.02 12.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.559 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.6 -39.13 88.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.498 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 1.019 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.15 -45.83 85.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.473 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.6 m -64.49 -42.28 95.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.499 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 1.007 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.1 m-20 -68.64 -49.99 54.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.469 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.91 -67.93 1.45 Allowed Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 1.019 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.79 -54.52 14.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.167 0.508 . . . . 0.0 110.498 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.12 -47.26 49.83 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 1.007 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.81 -14.37 2.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.162 0.506 . . . . 0.0 110.455 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.529 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.57 -42.57 95.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.491 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.8 -41.72 82.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.487 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.52 -41.63 79.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.505 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.606 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.27 -49.24 81.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.466 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.576 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.37 -44.22 90.96 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.631 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.8 -54.2 19.67 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.418 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.07 -39.76 72.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.103 0.478 . . . . 0.0 110.449 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.606 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.61 -45.06 46.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.488 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.6 t -74.96 -30.84 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.485 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.631 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.02 -23.68 73.84 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.71 -33.24 23.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.178 0.513 . . . . 0.0 110.504 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.4 mt -55.39 -30.81 61.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.504 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.729 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.6 t -54.99 -35.26 33.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.458 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.34 -42.45 93.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.462 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.29 -48.14 81.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.452 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.15 87.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.505 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.06 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.5 t -55.88 -43.64 75.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.52 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.9 -46.28 82.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.504 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.5 -60.03 6.68 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.21 -39.51 86.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.14 0.495 . . . . 0.0 110.476 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 1.06 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.52 -44.32 88.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.552 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.545 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.78 -41.65 78.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.538 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.823 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.8 m -59.91 -49.99 75.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.5 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' MET . . . . . 1.159 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.1 ttp -63.93 -41.28 97.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.531 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.98 -40.31 60.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.47 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.2 -33.39 29.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.512 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.823 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.46 -46.47 48.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.524 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 1.159 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.805 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.446 0 N-CA-C 110.006 -1.237 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.5 t -69.69 -43.94 79.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.147 0.498 . . . . 0.0 110.54 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.598 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.3 -39.74 85.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.482 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -51.96 -40.73 61.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.476 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.1 p -94.92 -1.16 53.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.438 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.598 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.72 -59.94 3.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.538 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.54 92.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.537 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.82 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.6 t -63.1 -41.7 93.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.451 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.99 -39.16 74.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.49 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.37 -48.01 12.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.584 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.65 -39.09 88.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.513 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 1.023 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.14 -45.8 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.485 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.4 m -64.53 -42.3 95.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.502 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 1.012 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.55 -49.98 55.34 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.509 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.95 -67.87 1.46 Allowed Glycine 0 CA--C 1.52 0.39 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 1.023 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.84 -54.5 14.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.146 0.498 . . . . 0.0 110.487 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.14 -47.21 50.02 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 1.012 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.87 -14.33 2.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.179 0.514 . . . . 0.0 110.457 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.526 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.62 -42.59 95.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.479 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.68 -41.76 82.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.525 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.415 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.52 -41.63 79.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.521 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.599 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.25 -49.26 81.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.469 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.53 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.37 -44.23 90.93 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.676 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.77 -54.3 19.3 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 -179.922 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.415 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.01 -39.74 72.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.161 0.505 . . . . 0.0 110.501 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.599 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.64 -45.06 45.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.459 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.676 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.01 -30.78 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.468 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.663 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.05 -23.75 73.6 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.432 -1.067 . . . . 0.0 110.432 -179.92 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.68 -33.22 23.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.22 0.533 . . . . 0.0 110.51 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.3 mt -55.38 -30.86 61.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.472 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.4 t -54.96 -35.29 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.467 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.31 -42.4 93.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.489 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.38 -48.13 81.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.457 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.0 -41.16 86.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.5 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.044 ' O ' HG12 ' A' ' 39' ' ' ILE . 67.1 t -55.89 -43.61 75.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.515 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.93 -46.25 82.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.512 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.53 -60.0 6.72 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.27 -39.5 87.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.153 0.501 . . . . 0.0 110.464 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 1.044 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.56 -44.29 88.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.519 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.545 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.6 t80 -68.8 -41.7 78.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.515 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.806 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.84 -49.99 75.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.548 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' MET . . . . . 1.161 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -64.0 -41.22 97.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.544 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.99 -40.29 60.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.471 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.22 -33.41 29.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.488 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.806 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.48 -46.41 48.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.52 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 1.161 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.787 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.474 0 N-CA-C 110.025 -1.23 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.5 t -69.7 -43.94 79.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.154 0.502 . . . . 0.0 110.514 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.586 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.34 -39.73 84.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.468 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -51.99 -40.73 61.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.495 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.4 p -94.82 -1.24 53.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.478 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.586 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.73 -59.94 3.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.507 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.59 92.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.527 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.814 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.3 t -63.02 -41.69 93.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.529 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.93 -39.23 74.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.495 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.36 -48.08 12.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.557 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.58 -39.1 88.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.522 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 1.015 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.14 -45.86 85.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.481 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.5 m -64.49 -42.27 95.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.495 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 1.003 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.2 m-20 -68.61 -49.96 55.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.522 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.94 -67.92 1.45 Allowed Glycine 0 CA--C 1.52 0.37 0 N-CA-C 110.529 -1.028 . . . . 0.0 110.529 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 1.015 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.78 -54.49 14.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.211 0.529 . . . . 0.0 110.548 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.14 -47.24 49.95 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 1.003 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.81 -14.36 2.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.139 0.495 . . . . 0.0 110.457 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.532 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.58 -42.56 95.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.498 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.75 -41.8 82.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.489 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.49 -41.71 79.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.499 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.6 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.18 -49.26 82.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.478 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.526 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.35 -44.26 90.94 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 179.898 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.685 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.77 -54.27 19.44 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.424 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.02 -39.72 72.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.125 0.488 . . . . 0.0 110.53 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.6 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.61 -45.06 46.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.509 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.685 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.02 -30.8 23.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.472 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.659 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.97 -23.78 73.69 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.71 -33.18 23.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.171 0.51 . . . . 0.0 110.497 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.5 mt -55.42 -30.81 61.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.511 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.728 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.8 t -54.98 -35.23 33.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.456 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.38 -42.41 93.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.44 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.34 -48.1 81.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.479 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.07 -41.14 87.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.464 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.033 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.6 t -55.92 -43.57 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.525 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.28 82.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.518 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.48 -60.03 6.67 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.3 -39.48 87.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.093 0.473 . . . . 0.0 110.461 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 1.033 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.51 -44.34 88.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.565 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.75 -41.69 78.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.502 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.816 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.9 -49.95 75.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.543 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' MET . . . . . 1.168 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.95 -41.29 97.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.559 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.94 -40.27 60.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.55 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.24 -33.35 29.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.525 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.816 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.5 -46.43 47.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.526 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 1.168 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.805 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.512 0 N-CA-C 110.001 -1.239 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.7 -43.94 79.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.155 0.502 . . . . 0.0 110.531 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.594 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.3 -39.73 84.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.473 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -52.01 -40.67 61.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.512 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.9 p -94.92 -1.12 53.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.456 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.594 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.4 t -48.74 -59.95 3.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.516 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.04 -41.57 92.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.513 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.818 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.8 t -63.07 -41.65 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.502 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.98 -39.16 74.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.55 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.38 -48.06 12.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.536 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.62 -39.1 88.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.527 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.992 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.1 -45.89 85.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.484 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.5 m -64.46 -42.28 96.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.49 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.998 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.1 m-20 -68.66 -49.92 55.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.49 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.99 -67.87 1.46 Allowed Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.534 -1.027 . . . . 0.0 110.534 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.992 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.8 -54.56 14.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.185 0.517 . . . . 0.0 110.528 179.922 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.09 -47.23 49.71 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.998 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.8 -14.4 2.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.131 0.491 . . . . 0.0 110.446 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.529 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.56 -42.62 95.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.483 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.67 -41.81 82.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.468 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.428 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.52 -41.67 79.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.495 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.597 HG22 HD12 ' A' ' 26' ' ' ILE . 96.6 mt -64.21 -49.19 82.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.486 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.567 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.49 -44.18 90.73 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.456 -1.058 . . . . 0.0 110.456 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.657 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.79 -54.28 19.28 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.513 -1.035 . . . . 0.0 110.513 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.428 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.97 -39.74 72.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.11 0.481 . . . . 0.0 110.481 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.597 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.64 -45.09 45.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.467 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 23' ' ' GLY . 79.0 t -74.94 -30.83 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.478 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.657 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.99 -23.73 73.78 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.71 -33.22 23.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.218 0.532 . . . . 0.0 110.505 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.4 mt -55.43 -30.78 61.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.523 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.725 ' O ' HG23 ' A' ' 35' ' ' VAL . 66.5 t -55.01 -35.25 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.488 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.34 -42.43 93.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.446 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.28 -48.18 81.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.48 -179.953 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.11 86.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.522 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.056 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.6 t -55.95 -43.53 75.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.515 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.94 -46.27 82.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.521 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.49 -60.03 6.67 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.28 -39.47 86.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.132 0.491 . . . . 0.0 110.442 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 1.056 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.3 mm -58.56 -44.34 89.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.516 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.74 -41.72 78.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.544 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.818 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.78 -50.08 75.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.538 179.929 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' MET . . . . . 1.158 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.92 -41.27 97.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.525 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.3 mt -75.0 -40.25 60.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.505 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.28 -33.32 29.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.517 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.818 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.51 -46.48 47.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.513 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 1.158 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.79 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.471 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.3 t -69.65 -43.96 79.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.136 0.493 . . . . 0.0 110.551 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.592 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.27 -39.72 84.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.496 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -52.06 -40.62 61.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.491 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.9 p -94.88 -1.21 53.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.454 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.592 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.4 t -48.79 -59.92 3.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.522 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.57 92.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.524 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.815 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.7 t -63.03 -41.67 93.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.513 179.928 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.0 -39.18 74.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.483 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.6 m -81.42 -48.0 12.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.543 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.65 -39.1 88.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.497 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 1.016 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.14 -45.84 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.496 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.9 m -64.47 -42.31 95.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.526 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 1.011 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.4 m-20 -68.6 -49.95 55.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.513 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.9 -67.9 1.46 Allowed Glycine 0 CA--C 1.52 0.366 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 1.016 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.84 -54.54 14.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.114 0.483 . . . . 0.0 110.482 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.13 -47.22 49.96 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 1.011 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.79 -14.4 2.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.157 0.503 . . . . 0.0 110.473 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.53 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.53 -42.61 95.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.51 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.79 -41.73 82.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.464 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.42 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.51 -41.73 79.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.458 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.599 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.19 -49.25 82.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.455 -179.935 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.579 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.43 -44.21 90.82 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.628 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.77 -54.23 19.65 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.42 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 92.0 t80 -56.06 -39.75 72.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.13 0.491 . . . . 0.0 110.495 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.599 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.64 -45.04 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.478 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.7 t -74.98 -30.82 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.48 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.628 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.04 -23.72 73.7 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -179.925 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.69 -33.18 23.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.235 0.541 . . . . 0.0 110.535 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.2 mt -55.38 -30.9 61.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.496 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.725 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.2 t -54.99 -35.18 33.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.477 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.4 -42.38 93.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.473 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.35 -48.13 81.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.466 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.07 -41.12 87.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.476 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.042 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.7 t -55.92 -43.59 75.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.483 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.89 -46.29 82.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.528 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.52 -60.01 6.7 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.27 -39.47 86.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.148 0.499 . . . . 0.0 110.5 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 1.042 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.5 -44.35 88.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.582 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.6 t80 -68.71 -41.75 78.64 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.523 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.816 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.83 -50.03 75.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.507 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' MET . . . . . 1.143 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.1 ttp -63.89 -41.32 97.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.57 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.4 mt -74.93 -40.29 60.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.507 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.2 -33.36 29.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.522 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.816 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.52 -46.43 47.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.517 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 1.143 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.807 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.433 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.68 -43.96 79.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.128 0.489 . . . . 0.0 110.528 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.602 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.27 -39.72 84.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.557 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.06 -40.62 61.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.539 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.4 p -94.88 -1.23 53.07 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.486 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.602 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.65 -60.0 3.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.533 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.6 92.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.531 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.823 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.8 t -63.01 -41.73 93.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.49 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.96 -39.17 74.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.501 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.2 m -81.4 -48.03 12.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.564 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.6 -39.12 88.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.568 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 1.02 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.07 -45.88 85.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.52 179.935 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.3 m -64.49 -42.3 95.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.491 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 1.013 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.64 -50.0 54.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.445 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.86 -67.91 1.46 Allowed Glycine 0 CA--C 1.52 0.366 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 1.02 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.8 -54.52 14.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.17 0.51 . . . . 0.0 110.505 179.932 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.16 -47.23 50.13 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 1.013 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.8 -14.35 2.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.14 0.495 . . . . 0.0 110.508 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.533 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.63 -42.52 95.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.52 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.76 -41.77 82.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.488 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.52 -41.67 79.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.506 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.605 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.19 -49.27 81.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.454 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.58 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.4 -44.22 90.89 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.48 -1.048 . . . . 0.0 110.48 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.653 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.75 -54.31 19.32 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.418 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.97 -39.73 72.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.162 0.506 . . . . 0.0 110.527 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.605 HD12 HG22 ' A' ' 22' ' ' ILE . 96.6 mt -74.62 -45.09 45.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.468 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.6 t -74.99 -30.86 24.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.43 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.653 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.0 -23.67 73.95 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.79 -33.19 23.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.15 0.5 . . . . 0.0 110.47 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.6 mt -55.43 -30.84 61.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.49 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.722 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.9 t -54.95 -35.3 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.419 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.35 -42.4 93.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.478 -179.923 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.31 -48.14 81.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.5 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.14 87.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.521 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.056 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.9 t -55.93 -43.59 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.508 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.85 -46.32 82.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.504 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.53 -60.04 6.69 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.0 mt -60.24 -39.47 86.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.128 0.489 . . . . 0.0 110.495 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 1.056 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.55 -44.31 89.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.503 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.536 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.76 -41.74 78.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.523 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.821 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.84 -50.0 75.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.505 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 42' ' ' MET . . . . . 1.143 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.1 ttp -63.97 -41.29 97.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.493 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.7 mt -74.96 -40.28 60.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.477 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.536 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.26 -33.34 29.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.542 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.821 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.52 -46.46 47.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.54 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 1.143 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.808 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.463 0 N-CA-C 110.016 -1.234 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.67 -43.98 79.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.129 0.49 . . . . 0.0 110.516 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.606 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.23 -39.74 85.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.55 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.0 -40.66 61.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.517 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.1 p -94.92 -1.19 53.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.469 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.606 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.73 -59.99 3.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.5 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.97 -41.55 92.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.542 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.822 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 67.1 t -63.1 -41.69 93.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.496 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.97 -39.16 74.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.526 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.3 m -81.37 -48.05 12.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.574 179.928 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.63 -39.08 88.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.527 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 1.025 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.08 -45.9 85.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.522 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.8 m -64.47 -42.28 95.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.505 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 1.002 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.2 m-20 -68.61 -49.96 55.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.467 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.97 -67.91 1.45 Allowed Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 1.025 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.75 -54.56 14.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.143 0.497 . . . . 0.0 110.51 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.08 -47.26 49.57 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 1.002 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.84 -14.37 2.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.142 0.496 . . . . 0.0 110.456 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.529 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.51 -42.64 95.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.501 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.74 -41.79 82.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.466 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.44 -41.72 79.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.478 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.594 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.2 -49.25 82.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.455 -179.913 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.529 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.42 -44.17 90.93 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.672 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.8 -54.23 19.52 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.418 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.03 -39.7 72.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.169 0.509 . . . . 0.0 110.509 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.598 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 96.7 mt -74.71 -45.04 45.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.436 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.672 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.02 -30.8 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.437 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.63 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.03 -23.75 73.63 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 -179.936 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.69 -33.2 23.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.199 0.523 . . . . 0.0 110.514 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.3 mt -55.41 -30.87 61.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.496 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.709 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.4 t -54.93 -35.25 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.512 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.31 -42.44 93.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.48 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.35 -48.12 81.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.429 -179.906 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.15 87.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.516 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.069 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.6 t -55.89 -43.56 74.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.551 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.94 -46.3 82.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.475 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.47 -60.05 6.65 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 110.446 -1.062 . . . . 0.0 110.446 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.26 -39.5 87.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.147 0.499 . . . . 0.0 110.456 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 1.069 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.52 -44.32 88.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.563 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.547 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.6 t80 -68.7 -41.73 78.71 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.559 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.812 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.9 -49.98 75.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.5 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 42' ' ' MET . . . . . 1.161 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.95 -41.24 97.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.542 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.98 -40.3 60.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.49 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.547 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.22 -33.41 29.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.497 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.812 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.46 -46.43 48.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.525 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 1.161 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.804 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.365 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -69.7 -43.92 79.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.635 -0.283 . . . . 0.0 110.549 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -66.29 -39.75 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.52 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . -51.99 -40.69 61.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.515 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -94.87 -1.2 53.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.484 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -48.72 -59.96 3.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.542 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.54 92.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.522 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -63.1 -41.64 93.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.507 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -56.95 -39.21 74.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.507 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -81.36 -48.1 12.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.523 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.55 -39.15 88.4 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.552 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -67.11 -45.77 85.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.543 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -64.57 -42.29 95.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.48 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -68.58 -49.95 55.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.509 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.95 -67.95 1.45 Allowed Glycine 0 CA--C 1.52 0.379 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . -48.8 -54.48 14.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.611 -0.294 . . . . 0.0 110.501 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.18 -47.2 50.27 Favored Glycine 0 CA--C 1.52 0.357 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . . . -55.81 -14.37 2.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.6 -0.3 . . . . 0.0 110.453 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . -64.53 -42.67 95.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.501 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -57.66 -41.84 82.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.504 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.44 -41.69 79.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.519 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -64.14 -49.29 82.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.51 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.37 -44.28 90.83 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.494 -1.042 . . . . 0.0 110.494 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.71 -54.28 19.62 Favored Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -55.99 -39.76 72.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.598 -0.301 . . . . 0.0 110.518 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -74.65 -45.0 46.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.463 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -75.05 -30.82 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.426 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.95 -23.76 73.78 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.75 -33.17 23.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.576 -0.312 . . . . 0.0 110.494 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -55.42 -30.86 61.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.485 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -54.9 -35.32 33.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.496 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -65.3 -42.41 93.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.505 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -62.3 -48.13 81.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.463 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.14 87.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.522 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -55.91 -43.57 75.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.526 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.91 -46.34 82.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.501 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.42 -60.03 6.64 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.484 -1.047 . . . . 0.0 110.484 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -60.31 -39.49 87.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.565 -0.317 . . . . 0.0 110.429 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -58.47 -44.39 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.556 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -68.71 -41.7 78.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.545 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -59.87 -50.03 75.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.536 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -63.88 -41.26 97.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.586 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -75.0 -40.26 60.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.495 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . -82.25 -33.4 29.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.514 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -73.48 -46.4 48.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.522 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.601 -0.727 . . . . 0.0 . -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 109.999 -1.241 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 77.9 t -69.66 -43.97 79.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.159 0.504 . . . . 0.0 110.511 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.585 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.29 -39.73 84.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.536 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -52.02 -40.65 61.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.511 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.3 p -94.91 -1.23 53.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.455 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.585 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.4 t -48.69 -59.96 3.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.55 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.57 92.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.516 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.814 ' CG1' HG13 ' A' ' 12' ' ' ILE . 66.8 t -63.02 -41.7 93.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.513 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.94 -39.21 74.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.511 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.38 -48.02 12.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.562 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.64 -39.1 88.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.494 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 1.002 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.18 -45.78 85.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.467 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.4 m -64.52 -42.34 95.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.467 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 1.011 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.1 m-20 -68.57 -50.02 54.91 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.481 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.9 -67.92 1.46 Allowed Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 1.002 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.8 -54.5 14.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.183 0.516 . . . . 0.0 110.528 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.15 -47.22 50.07 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 1.011 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.78 -14.41 2.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.169 0.509 . . . . 0.0 110.478 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.528 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.55 -42.59 95.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.511 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.73 -41.79 82.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.457 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.428 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.52 -41.63 79.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.504 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.584 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.26 -49.26 81.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.442 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.527 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.37 -44.19 91.03 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.678 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.8 -54.29 19.21 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.428 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.97 -39.8 72.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.146 0.498 . . . . 0.0 110.479 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.594 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 96.7 mt -74.62 -45.02 46.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.479 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.678 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.03 -30.8 23.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.477 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.662 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.01 -23.69 73.86 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.78 -33.15 23.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.132 0.491 . . . . 0.0 110.478 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.4 mt -55.45 -30.79 61.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.506 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.5 t -54.97 -35.27 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.504 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.34 -42.42 93.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.476 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.26 -48.19 81.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.489 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.95 -41.19 86.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.531 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.061 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.8 t -55.93 -43.52 75.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.546 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.97 -46.24 82.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.509 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.57 -59.98 6.76 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.0 mt -60.23 -39.52 86.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.117 0.484 . . . . 0.0 110.474 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 1.061 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.55 -44.32 89.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.504 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.505 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.77 -41.74 78.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.529 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.822 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.8 m -59.8 -49.99 75.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.557 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . 1.16 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.94 -41.3 97.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.55 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.96 -40.27 60.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.499 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.27 -33.39 29.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.472 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.822 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.47 -46.45 48.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.519 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 1.16 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.819 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.448 0 N-CA-C 109.98 -1.248 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.65 -43.95 79.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.132 0.491 . . . . 0.0 110.526 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.596 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.32 -39.74 84.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.469 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -51.97 -40.7 61.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.509 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.3 p -94.84 -1.27 53.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.496 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.596 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.7 -59.97 3.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.509 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.58 92.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.486 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.817 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.5 t -63.07 -41.7 93.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.443 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.98 -39.13 74.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.509 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.1 m -81.38 -48.07 12.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.532 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.62 -39.06 88.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.561 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 1.013 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.12 -45.86 85.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.525 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.6 m -64.48 -42.3 95.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.521 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.992 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.0 m-20 -68.57 -49.98 55.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.503 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.94 -67.89 1.46 Allowed Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.549 -1.02 . . . . 0.0 110.549 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 1.013 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.83 -54.55 14.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.169 0.509 . . . . 0.0 110.493 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.12 -47.19 49.99 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.514 -1.035 . . . . 0.0 110.514 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.992 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.88 -14.34 2.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.159 0.504 . . . . 0.0 110.461 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.531 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.57 -42.62 95.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.469 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.72 -41.75 82.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.487 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.422 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.51 -41.66 79.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.526 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.601 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.18 -49.29 81.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.443 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.53 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.45 -44.13 90.94 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.693 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.82 -54.28 19.19 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.503 -1.039 . . . . 0.0 110.503 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.422 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.96 -39.77 72.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.113 0.482 . . . . 0.0 110.485 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.601 HD12 HG22 ' A' ' 22' ' ' ILE . 96.6 mt -74.63 -45.07 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.444 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.693 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.0 -30.79 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.482 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.654 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.03 -23.69 73.79 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.73 -33.25 23.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.182 0.515 . . . . 0.0 110.495 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.2 mt -55.38 -30.89 61.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.47 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.9 t -54.91 -35.28 33.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.502 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.32 -42.45 93.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.516 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.26 -48.17 81.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.461 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.04 -41.12 87.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.481 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.033 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.4 t -55.93 -43.62 75.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.518 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.84 -46.3 82.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.523 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.54 -60.0 6.73 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.29 -39.47 87.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.133 0.492 . . . . 0.0 110.457 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 1.033 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.53 -44.3 88.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.554 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.79 -41.67 78.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.535 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.809 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.88 -50.01 75.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.571 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . 1.177 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.9 -41.29 97.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.557 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.97 -40.29 60.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.481 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.8 tpt180 -82.21 -33.39 29.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.523 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.809 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.5 -46.46 47.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.481 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 1.177 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.814 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.399 0 N-CA-C 110.016 -1.234 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.6 t -69.68 -43.98 79.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.145 0.498 . . . . 0.0 110.522 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.594 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.27 -39.74 85.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.511 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -52.02 -40.64 61.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.524 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.8 p -94.95 -1.16 53.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.444 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.594 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.4 t -48.72 -59.96 3.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.556 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.55 92.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.521 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.818 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.6 t -63.1 -41.65 93.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.482 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.02 -39.19 74.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.486 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.32 -48.1 12.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.566 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.58 -39.1 88.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.522 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 1.02 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.6 mm -67.13 -45.8 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.533 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.8 m -64.5 -42.35 95.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.48 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 1.007 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.61 -49.96 55.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.503 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.9 -67.93 1.46 Allowed Glycine 0 CA--C 1.52 0.39 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 1.02 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.78 -54.5 14.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.127 0.489 . . . . 0.0 110.506 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.19 -47.17 50.46 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 1.007 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.85 -14.35 2.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.145 0.498 . . . . 0.0 110.441 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.537 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.57 -42.64 95.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.461 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.72 -41.78 82.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.489 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.427 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.5 -41.67 79.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.516 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.604 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.21 -49.26 81.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.473 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.579 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.39 -44.23 90.89 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.625 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.73 -54.3 19.42 Favored Glycine 0 CA--C 1.52 0.381 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.427 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.99 -39.73 72.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.156 0.503 . . . . 0.0 110.518 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.604 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.69 -45.05 45.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.415 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.6 t -74.96 -30.85 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.46 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.625 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.01 -23.75 73.68 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.69 -33.17 23.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.182 0.515 . . . . 0.0 110.521 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.3 mt -55.45 -30.85 61.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.453 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.711 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.8 t -54.96 -35.22 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.49 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.35 -42.4 93.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.496 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.32 -48.17 81.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.444 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.07 -41.08 87.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.494 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.033 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.7 t -55.91 -43.58 75.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.54 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.9 -46.3 82.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.511 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.51 -60.01 6.7 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.23 -39.55 87.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.165 0.507 . . . . 0.0 110.488 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 1.033 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.49 -44.38 88.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.563 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.522 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.68 -41.73 78.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.502 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.818 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.86 -50.01 75.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.536 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . 1.172 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.93 -41.26 97.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.568 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.98 -40.26 60.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.496 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.8 tpt180 -82.24 -33.39 29.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.494 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.818 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.49 -46.44 48.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.518 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 1.172 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.813 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.418 0 N-CA-C 110.011 -1.236 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.7 -43.99 79.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.119 0.485 . . . . 0.0 110.509 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.605 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.26 -39.73 85.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.526 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.04 -40.62 61.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.506 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.3 p -94.92 -1.22 53.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.445 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.605 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.73 -59.92 3.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.579 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.55 92.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.548 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.819 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.6 t -63.04 -41.73 93.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.512 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.94 -39.19 74.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.525 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.6 m -81.33 -48.06 12.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.579 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.62 -39.14 88.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.486 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 1.019 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.06 -45.85 85.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.532 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.6 m -64.51 -42.3 95.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.486 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 1.002 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.58 -49.97 55.28 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.532 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.92 -67.87 1.46 Allowed Glycine 0 CA--C 1.52 0.403 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 1.019 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.9 -54.47 15.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.118 0.485 . . . . 0.0 110.465 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.18 -47.14 50.47 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 1.002 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.9 -14.36 2.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.095 0.474 . . . . 0.0 110.42 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.527 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.53 -42.6 95.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.534 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.73 -41.8 82.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.433 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.422 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.5 -41.67 79.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.51 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.586 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.19 -49.24 82.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.478 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.524 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.44 -44.21 90.8 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.66 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.77 -54.25 19.55 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.422 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 92.0 t80 -56.04 -39.7 72.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.142 0.496 . . . . 0.0 110.508 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.59 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 96.6 mt -74.63 -45.04 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.485 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.66 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.09 -30.74 23.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.476 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.652 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.01 -23.75 73.69 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.72 -33.25 23.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.173 0.511 . . . . 0.0 110.458 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.4 mt -55.31 -30.9 61.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.497 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.715 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.5 t -54.97 -35.23 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.469 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.38 -42.42 93.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.459 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.34 -48.11 81.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.442 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.19 87.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.457 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.045 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.8 t -55.92 -43.57 75.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.467 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.95 -46.23 82.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.485 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.55 -60.0 6.73 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.32 -39.44 87.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.128 0.49 . . . . 0.0 110.471 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 1.045 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.53 -44.33 88.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.54 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.539 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.6 t80 -68.74 -41.75 78.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.51 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.821 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.81 -50.02 75.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.524 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . 1.171 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.95 -41.29 97.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.523 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.92 -40.31 60.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.501 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.22 -33.37 29.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.506 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.821 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.49 -46.44 48.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.522 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 1.171 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.785 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.451 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.2 t -69.68 -43.97 79.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.139 0.495 . . . . 0.0 110.493 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.605 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.3 -39.74 84.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.509 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -52.01 -40.66 61.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.507 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.6 p -94.92 -1.19 53.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.433 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.605 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.72 -59.95 3.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.523 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.59 92.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.511 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.824 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.4 t -63.08 -41.64 93.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.507 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.98 -39.2 74.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.495 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.37 -48.01 12.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.572 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.6 -39.1 88.23 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.548 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 1.023 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.13 -45.84 85.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.503 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.3 m -64.47 -42.31 95.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.488 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.991 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.5 m-20 -68.64 -49.93 55.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.47 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.97 -67.85 1.46 Allowed Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 1.023 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.83 -54.52 14.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.165 0.507 . . . . 0.0 110.525 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.13 -47.22 49.98 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.991 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.86 -14.34 2.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.178 0.513 . . . . 0.0 110.479 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.53 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.51 -42.63 95.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.534 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.69 -41.84 82.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.477 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.422 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.47 -41.71 79.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.501 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.582 HG22 HD12 ' A' ' 26' ' ' ILE . 96.6 mt -64.14 -49.26 82.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.501 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.567 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.35 -44.28 90.88 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.491 -1.043 . . . . 0.0 110.491 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.655 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.76 -54.26 19.5 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.422 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.04 -39.73 72.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.147 0.498 . . . . 0.0 110.508 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.582 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.63 -45.08 45.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.442 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.6 t -74.99 -30.78 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.506 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.655 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.02 -23.71 73.78 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.77 -33.16 23.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.13 0.49 . . . . 0.0 110.461 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.5 mt -55.41 -30.84 61.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.487 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.729 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.4 t -54.99 -35.28 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.469 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.32 -42.41 93.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.485 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.32 -48.13 81.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.47 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.15 87.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.496 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.06 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.7 t -55.95 -43.55 75.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.5 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.94 -46.28 82.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.482 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.46 -60.11 6.59 Favored Glycine 0 CA--C 1.52 0.393 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.26 -39.47 86.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.101 0.476 . . . . 0.0 110.465 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 1.06 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.53 -44.36 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.495 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.54 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.72 -41.72 78.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.557 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.811 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.8 m -59.88 -49.97 75.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.545 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . 1.176 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.95 -41.3 97.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.496 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.99 -40.27 60.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.522 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.23 -33.4 29.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.498 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.811 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.47 -46.42 48.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.518 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 1.176 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.825 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.527 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.69 -43.92 79.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.148 0.499 . . . . 0.0 110.543 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.591 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.27 -39.74 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.533 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.03 -40.64 61.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.509 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.3 p -94.92 -1.16 53.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.453 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.591 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.79 -59.94 3.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.503 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.61 92.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.516 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.822 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.2 t -63.07 -41.64 93.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.522 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.03 -39.14 74.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.509 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.6 m -81.39 -48.04 12.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.56 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.59 -39.14 88.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.522 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 1.01 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.12 -45.83 85.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.513 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.7 m -64.47 -42.34 95.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 1.018 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.54 -50.01 55.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.533 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.88 -67.89 1.46 Allowed Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.563 -1.015 . . . . 0.0 110.563 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 1.01 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.87 -54.47 15.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.171 0.51 . . . . 0.0 110.541 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.14 -47.2 50.06 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.504 -1.039 . . . . 0.0 110.504 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 1.018 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.84 -14.39 2.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.108 0.48 . . . . 0.0 110.44 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.532 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.52 -42.61 95.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.536 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.77 -41.77 82.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.444 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.47 -41.71 79.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.464 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.59 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.2 -49.27 81.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.466 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.524 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.37 -44.18 91.04 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.682 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.85 -54.23 19.36 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.426 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.03 -39.73 72.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.164 0.506 . . . . 0.0 110.483 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.59 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.67 -45.0 45.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.481 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.682 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.08 -30.78 23.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.444 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.659 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.0 -23.72 73.8 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.7 -33.24 23.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.135 0.493 . . . . 0.0 110.491 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.6 mt -55.39 -30.85 61.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.485 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.716 ' O ' HG23 ' A' ' 35' ' ' VAL . 67.0 t -55.01 -35.19 33.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.504 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.37 -42.43 93.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.467 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.29 -48.16 81.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.494 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.96 -41.18 86.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.52 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.062 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.6 t -55.94 -43.53 75.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.509 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.97 -46.26 82.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.46 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.5 -60.06 6.65 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.21 -39.49 86.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.138 0.495 . . . . 0.0 110.506 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 1.062 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.53 -44.31 88.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.54 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.516 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.79 -41.73 78.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.495 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.818 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.86 -49.98 75.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.555 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . 1.165 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.87 -41.39 97.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.509 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.4 mt -74.94 -40.27 60.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.488 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.25 -33.38 29.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.496 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.818 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.45 -46.48 48.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.542 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 1.165 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.797 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.7 -43.96 79.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.161 0.505 . . . . 0.0 110.507 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.583 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.31 -39.74 84.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.5 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -52.03 -40.66 61.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.496 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.9 p -94.88 -1.2 53.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.44 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.583 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.73 -59.93 3.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.542 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.56 92.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.533 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.815 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.6 t -63.06 -41.68 93.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.504 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.94 -39.25 74.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.517 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.1 m -81.3 -48.1 12.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.562 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.58 -39.09 88.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.555 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.999 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.17 -45.77 85.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.492 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.3 m -64.53 -42.35 95.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.475 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.996 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.2 m-20 -68.54 -49.97 55.5 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.537 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.94 -67.85 1.46 Allowed Glycine 0 CA--C 1.52 0.381 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.999 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.83 -54.53 14.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.16 0.505 . . . . 0.0 110.527 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.13 -47.19 50.03 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.996 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.89 -14.37 2.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.142 0.496 . . . . 0.0 110.449 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.532 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.49 -42.65 95.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.528 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.7 -41.8 82.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.484 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.427 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.48 -41.67 79.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.492 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.605 HG22 HD12 ' A' ' 26' ' ' ILE . 96.6 mt -64.26 -49.25 81.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.448 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.527 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.4 -44.22 90.89 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.665 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.75 -54.28 19.45 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.427 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.01 -39.8 72.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.116 0.484 . . . . 0.0 110.456 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.605 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.6 -45.02 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.511 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.665 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.07 -30.75 23.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.448 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.663 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.03 -23.72 73.72 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.71 -33.2 23.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.163 0.506 . . . . 0.0 110.524 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.5 mt -55.39 -30.86 61.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.5 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.718 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.4 t -54.95 -35.29 33.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.491 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.29 -42.43 93.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.48 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.35 -48.08 81.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.48 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.19 87.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.523 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.058 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.8 t -55.9 -43.58 75.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.5 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.91 -46.27 82.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.489 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.55 -60.03 6.7 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.25 -39.47 86.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.129 0.49 . . . . 0.0 110.482 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 1.058 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.51 -44.38 89.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.554 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.5 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.73 -41.71 78.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.52 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.816 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.87 -50.0 75.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.563 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . 1.146 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.85 -41.35 97.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.534 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.96 -40.25 60.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.521 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.28 -33.37 29.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.519 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.816 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.51 -46.42 48.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.513 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 1.146 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.823 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.46 0 N-CA-C 109.974 -1.251 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.8 t -69.66 -43.97 79.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.119 0.485 . . . . 0.0 110.526 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.59 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.26 -39.74 85.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.525 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -51.99 -40.71 61.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.493 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.4 p -94.88 -1.25 53.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.439 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.59 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.4 t -48.71 -59.95 3.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.511 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.04 -41.55 92.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.502 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.818 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.7 t -63.04 -41.7 93.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.518 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.96 -39.22 74.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.499 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.6 m -81.39 -47.99 12.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.562 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.61 -39.11 88.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.556 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 1.016 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.6 mm -67.11 -45.85 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.518 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.7 m -64.49 -42.31 95.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.513 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.996 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.4 m-20 -68.55 -50.01 55.14 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.515 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.89 -67.92 1.46 Allowed Glycine 0 CA--C 1.52 0.373 0 N-CA-C 110.544 -1.023 . . . . 0.0 110.544 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 1.016 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.86 -54.51 15.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.117 0.484 . . . . 0.0 110.484 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.12 -47.23 49.87 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.501 -1.04 . . . . 0.0 110.501 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.996 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.7 m-20 -55.8 -14.37 2.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.147 0.498 . . . . 0.0 110.504 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.532 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.58 -42.64 95.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.467 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.68 -41.8 82.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.462 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.53 -41.61 79.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.498 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.601 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.25 -49.24 82.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.467 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.58 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.38 -44.24 90.92 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.647 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.77 -54.3 19.28 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.424 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.99 -39.75 72.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.153 0.501 . . . . 0.0 110.484 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.601 HD12 HG22 ' A' ' 22' ' ' ILE . 96.6 mt -74.61 -45.11 45.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.458 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.9 t -74.95 -30.89 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.47 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.647 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.9 -23.76 73.87 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.73 -33.19 23.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.19 0.519 . . . . 0.0 110.496 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.5 mt -55.36 -30.86 61.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.521 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.72 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.6 t -54.98 -35.26 33.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.494 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.31 -42.47 93.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.459 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.26 -48.18 81.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.459 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.04 -41.1 87.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.523 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.028 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.8 t -55.9 -43.59 75.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.541 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.29 82.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.498 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.47 -60.02 6.67 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.494 -1.042 . . . . 0.0 110.494 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.28 -39.53 87.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.076 0.465 . . . . 0.0 110.41 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 1.028 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.3 mm -58.48 -44.37 88.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.506 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.508 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.71 -41.75 78.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.539 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.816 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.8 -50.04 75.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.552 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . 1.154 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.94 -41.24 97.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.565 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.4 mt -74.98 -40.24 60.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.541 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.25 -33.4 29.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.523 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.816 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.48 -46.46 48.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.504 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 1.154 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.806 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.42 0 N-CA-C 110.004 -1.238 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.6 t -69.66 -43.97 79.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.157 0.503 . . . . 0.0 110.525 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.597 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.23 -39.75 85.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.541 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -52.03 -40.68 61.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.503 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.7 p -94.83 -1.22 53.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.503 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.597 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.7 -59.93 3.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.552 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.52 92.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.518 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.812 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.8 t -63.09 -41.65 93.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.47 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.03 -39.14 74.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.499 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.2 m -81.41 -48.07 12.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.509 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.54 -39.19 88.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.547 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 1.018 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.08 -45.82 85.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.52 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.8 m -64.49 -42.33 95.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.51 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.992 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.2 m-20 -68.58 -49.98 55.26 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.499 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.9 -67.93 1.46 Allowed Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.531 -1.027 . . . . 0.0 110.531 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 1.018 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.86 -54.47 15.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.169 0.509 . . . . 0.0 110.516 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.18 -47.2 50.3 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.486 -1.045 . . . . 0.0 110.486 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.992 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.83 -14.36 2.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.152 0.501 . . . . 0.0 110.455 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.531 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.55 -42.6 95.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.521 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.75 -41.78 82.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.471 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.416 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.5 -41.7 79.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.508 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.591 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.16 -49.25 82.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.512 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.577 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.41 -44.22 90.85 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.618 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.79 -54.24 19.48 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.493 -1.043 . . . . 0.0 110.493 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.416 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.03 -39.76 72.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.101 0.477 . . . . 0.0 110.444 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.596 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 96.7 mt -74.61 -45.09 46.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.463 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.6 t -74.99 -30.82 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.439 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.618 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.98 -23.7 73.9 Favored Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.78 -33.15 23.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.194 0.521 . . . . 0.0 110.496 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.5 mt -55.45 -30.81 61.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.473 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.724 ' O ' HG23 ' A' ' 35' ' ' VAL . 66.7 t -55.0 -35.21 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.463 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.41 -42.4 93.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.463 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.31 -48.16 81.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.451 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.01 -41.13 86.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.51 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.023 ' O ' HG12 ' A' ' 39' ' ' ILE . 67.0 t -55.93 -43.63 75.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.484 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.86 -46.24 82.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.562 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.56 -60.02 6.72 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.421 -1.071 . . . . 0.0 110.421 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.0 mt -60.27 -39.52 87.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.098 0.475 . . . . 0.0 110.408 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 1.023 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.3 mm -58.48 -44.35 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.535 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.78 -41.68 78.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.506 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.823 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.8 m -59.83 -50.03 75.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.57 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . 1.135 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.89 -41.28 97.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.598 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 91.9 mt -75.01 -40.24 60.73 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.531 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.25 -33.35 29.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.542 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.823 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.51 -46.45 47.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.55 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 1.135 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.79 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.447 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.2 t -69.65 -43.95 79.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.129 0.49 . . . . 0.0 110.535 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.595 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.26 -39.75 85.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.538 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -51.97 -40.75 61.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.472 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.4 p -94.88 -1.17 53.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.46 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.595 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.75 -59.97 3.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.519 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.57 92.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.522 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.813 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.4 t -63.05 -41.66 93.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.504 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.98 -39.19 74.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.515 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.39 -47.98 12.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.577 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.65 -39.11 88.08 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.518 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 1.023 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.15 -45.79 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.483 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.8 m -64.51 -42.3 95.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.517 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.983 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.2 m-20 -68.62 -49.92 55.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.525 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.96 -67.85 1.46 Allowed Glycine 0 CA--C 1.52 0.381 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 1.023 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.9 -54.44 15.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.142 0.496 . . . . 0.0 110.493 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.21 -47.18 50.53 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.983 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.86 -14.32 2.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.118 0.485 . . . . 0.0 110.458 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.525 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.6 -42.59 95.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.511 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.68 -41.85 82.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.481 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.413 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.49 -41.63 79.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.505 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.595 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.22 -49.22 82.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.476 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.564 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.43 -44.27 90.69 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.654 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.68 -54.3 19.56 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 110.511 -1.035 . . . . 0.0 110.511 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.413 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.02 -39.74 72.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.149 0.499 . . . . 0.0 110.47 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.596 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 96.7 mt -74.63 -45.08 45.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.457 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.4 t -74.98 -30.78 24.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.486 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.654 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.02 -23.7 73.78 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.8 -33.16 23.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.178 0.513 . . . . 0.0 110.468 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.6 mt -55.44 -30.83 61.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.491 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.729 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.7 t -54.98 -35.22 33.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.488 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.35 -42.37 93.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.519 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.3 -48.18 81.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.473 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.07 -41.08 87.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.507 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.038 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.9 t -55.93 -43.59 75.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.515 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.23 82.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.517 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.6 -59.99 6.76 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.27 -39.48 86.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.13 0.491 . . . . 0.0 110.493 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 1.038 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.47 -44.36 88.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.565 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.535 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.77 -41.69 78.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.496 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.81 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.87 -49.95 75.7 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.549 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . 1.137 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.1 ttp -63.98 -41.26 97.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.551 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.95 -40.25 60.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.544 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.8 tpt180 -82.28 -33.38 29.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.507 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.81 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.47 -46.4 48.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.574 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 1.137 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.806 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.513 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.3 t -69.66 -43.96 79.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.129 0.49 . . . . 0.0 110.549 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.584 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.27 -39.73 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.498 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.0 -40.67 61.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.477 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.5 p -94.93 -1.2 53.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.434 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.584 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.76 -59.94 3.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.525 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.55 92.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.531 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.823 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.7 t -63.04 -41.7 93.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.503 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.98 -39.19 74.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.505 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.6 m -81.35 -48.02 12.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.563 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.64 -39.08 88.11 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.545 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 1.019 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.13 -45.85 85.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.482 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.5 m -64.51 -42.24 95.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.498 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 1.019 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.2 m-20 -68.66 -49.98 54.79 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.471 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.9 -67.93 1.46 Allowed Glycine 0 CA--C 1.52 0.374 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 1.019 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.79 -54.54 14.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.178 0.514 . . . . 0.0 110.494 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.08 -47.26 49.56 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 1.019 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.77 -14.39 2.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.115 0.483 . . . . 0.0 110.466 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.536 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.58 -42.59 95.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.479 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.76 -41.76 82.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.498 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.423 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.48 -41.69 79.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.47 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.598 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.18 -49.27 82.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.483 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.565 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.43 -44.21 90.81 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 110.469 -1.053 . . . . 0.0 110.469 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.642 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.78 -54.23 19.61 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.423 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.03 -39.78 72.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.106 0.479 . . . . 0.0 110.471 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.598 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.61 -45.11 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.434 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.7 t -74.96 -30.82 24.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.456 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.642 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.99 -23.75 73.72 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.72 -33.2 23.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.18 0.514 . . . . 0.0 110.487 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.6 mt -55.39 -30.86 61.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.469 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.715 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.7 t -54.96 -35.27 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.46 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.35 -42.45 93.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.452 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.3 -48.14 81.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.47 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.01 -41.16 87.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.494 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.061 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.7 t -55.92 -43.61 75.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.518 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.85 -46.32 82.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.539 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.46 -60.06 6.63 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.28 -39.47 86.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.111 0.482 . . . . 0.0 110.427 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 1.061 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.53 -44.36 89.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.53 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.523 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.73 -41.65 78.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.56 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.813 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.89 -49.97 75.63 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.574 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' MET . . . . . 1.153 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.1 ttp -63.95 -41.26 97.64 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.585 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.96 -40.29 60.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.53 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.19 -33.41 29.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.559 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.813 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.49 -46.43 48.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.544 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 1.153 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.804 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.502 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.66 -43.93 79.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.157 0.504 . . . . 0.0 110.557 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.598 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.3 -39.72 84.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.509 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.07 -40.61 61.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.489 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.1 p -94.96 -1.15 53.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.44 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.598 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.76 -59.93 3.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.52 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.53 92.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.534 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.816 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.9 t -63.12 -41.67 93.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.463 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.98 -39.17 74.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.503 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.6 m -81.4 -48.02 12.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.54 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.56 -39.13 88.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.58 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.996 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.17 -45.81 85.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.471 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.6 m -64.54 -42.25 95.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.531 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 1.001 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.62 -49.94 55.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.525 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.94 -67.92 1.45 Allowed Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.996 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.85 -54.5 15.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.122 0.487 . . . . 0.0 110.461 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.09 -47.3 49.52 Favored Glycine 0 CA--C 1.52 0.356 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 1.001 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.73 -14.4 2.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.098 0.475 . . . . 0.0 110.483 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.527 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.57 -42.59 95.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.488 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.75 -41.83 82.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.443 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.427 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.45 -41.67 79.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.496 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.605 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.21 -49.24 82.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.461 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.562 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.46 -44.17 90.83 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.634 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.81 -54.28 19.23 Favored Glycine 0 CA--C 1.521 0.447 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.427 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.0 -39.73 72.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.106 0.479 . . . . 0.0 110.516 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.605 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.65 -45.08 45.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.468 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.6 t -74.95 -30.81 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.495 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.634 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.07 -23.68 73.74 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.79 -33.16 23.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.162 0.506 . . . . 0.0 110.469 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.7 mt -55.38 -30.88 61.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.497 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.722 ' O ' HG23 ' A' ' 35' ' ' VAL . 66.3 t -55.0 -35.22 33.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.439 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.37 -42.47 93.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.444 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.27 -48.13 81.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.454 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.08 -41.11 87.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.446 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.031 ' O ' HG12 ' A' ' 39' ' ' ILE . 67.1 t -55.95 -43.56 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.514 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.93 -46.3 82.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.476 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.46 -60.01 6.67 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.499 -1.04 . . . . 0.0 110.499 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.3 -39.49 87.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.126 0.489 . . . . 0.0 110.463 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 1.031 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.51 -44.35 88.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.525 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.72 -41.78 78.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.525 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.82 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.8 -50.01 75.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.569 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' MET . . . . . 1.169 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.91 -41.36 97.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.484 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.4 mt -74.93 -40.26 60.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.514 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.26 -33.4 29.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.476 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.82 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.47 -46.41 48.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.531 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 1.169 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.808 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.63 -44.0 79.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.125 0.488 . . . . 0.0 110.513 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.584 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.26 -39.75 85.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.52 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -51.97 -40.69 61.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.495 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.9 p -94.89 -1.25 53.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.45 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.584 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.69 -59.93 3.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.576 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.58 92.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.516 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.82 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.5 t -63.05 -41.67 93.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.516 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.01 -39.16 74.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.516 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.3 m -81.34 -48.09 12.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.546 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.56 -39.16 88.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.513 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 1.012 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.6 mm -67.1 -45.84 85.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.517 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.9 m -64.51 -42.29 95.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.514 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 1.009 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.6 -49.95 55.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.475 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.96 -67.96 1.45 Allowed Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 1.012 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.77 -54.53 14.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.152 0.501 . . . . 0.0 110.511 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.14 -47.18 50.13 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 1.009 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.84 -14.4 2.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.122 0.487 . . . . 0.0 110.412 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.53 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.59 -42.55 95.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.521 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.73 -41.79 82.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.488 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.48 -41.7 79.73 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.447 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.601 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.22 -49.23 82.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.451 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.532 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.43 -44.2 90.84 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.695 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.82 -54.28 19.22 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.48 -1.048 . . . . 0.0 110.48 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.42 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.98 -39.78 72.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.174 0.511 . . . . 0.0 110.499 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.601 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.63 -45.02 46.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.455 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.695 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.02 -30.8 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.483 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.66 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.06 -23.65 73.85 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.82 -33.16 22.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.145 0.497 . . . . 0.0 110.472 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.5 mt -55.45 -30.78 61.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.494 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.727 ' O ' HG23 ' A' ' 35' ' ' VAL . 66.6 t -55.01 -35.26 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.463 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.34 -42.41 93.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.474 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.29 -48.18 81.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.46 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.11 86.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.506 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.066 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.9 t -55.97 -43.58 75.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.527 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.89 -46.28 82.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.492 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.52 -60.01 6.71 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.443 -1.063 . . . . 0.0 110.443 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.32 -39.41 86.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.108 0.48 . . . . 0.0 110.441 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 1.066 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.6 mm -58.6 -44.29 89.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.549 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.505 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.8 -41.7 78.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.52 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.814 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.82 -50.0 75.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.571 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' MET . . . . . 1.169 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.93 -41.31 97.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.535 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.7 mt -74.96 -40.28 60.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.536 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.18 -33.42 29.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.513 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.814 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.44 -46.48 48.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.549 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 1.169 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.795 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.424 0 N-CA-C 109.986 -1.246 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.7 -43.95 79.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.119 0.485 . . . . 0.0 110.516 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.602 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.26 -39.74 85.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.506 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.04 -40.66 61.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.489 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.3 p -94.87 -1.2 53.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.475 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.602 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.71 -59.95 3.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.548 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.58 92.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.529 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.82 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.6 t -63.09 -41.65 93.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.486 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.0 -39.15 74.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.489 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.3 m -81.43 -48.04 12.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.504 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.58 -39.13 88.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.535 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 1.021 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.16 -45.8 85.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.492 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.7 m -64.49 -42.32 95.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.5 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 1.008 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.6 m-20 -68.58 -49.96 55.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.495 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.97 -67.89 1.46 Allowed Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 1.021 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.84 -54.54 14.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.129 0.49 . . . . 0.0 110.458 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.09 -47.22 49.76 Favored Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 1.008 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.83 -14.39 2.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.15 0.5 . . . . 0.0 110.465 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.536 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.52 -42.62 95.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.491 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.73 -41.81 82.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.465 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.45 -41.63 79.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.533 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.597 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.24 -49.24 82.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.489 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.53 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.39 -44.18 90.98 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.69 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.79 -54.3 19.21 Favored Glycine 0 CA--C 1.52 0.367 0 N-CA-C 110.496 -1.041 . . . . 0.0 110.496 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.424 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.97 -39.75 72.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.138 0.494 . . . . 0.0 110.542 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.599 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 96.7 mt -74.64 -45.03 46.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.493 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.69 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.03 -30.78 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.477 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.637 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.02 -23.72 73.73 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.74 -33.17 23.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.204 0.526 . . . . 0.0 110.514 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.6 mt -55.45 -30.83 61.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.505 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.8 t -54.93 -35.27 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.487 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.36 -42.4 93.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.516 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.28 -48.13 81.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.492 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.06 -41.15 87.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.473 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.043 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.9 t -55.87 -43.65 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.482 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.84 -46.26 82.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.542 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.49 -60.07 6.63 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.19 -39.57 86.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.15 0.5 . . . . 0.0 110.46 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 1.043 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.43 -44.41 88.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.533 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.535 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.72 -41.73 78.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.503 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.817 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.8 -50.03 75.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.563 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' MET . . . . . 1.163 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.9 -41.33 97.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.515 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.3 mt -74.98 -40.21 60.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.523 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.8 tpt180 -82.29 -33.4 29.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.482 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.817 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.48 -46.4 48.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.53 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 1.163 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.785 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.417 0 N-CA-C 110.026 -1.229 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.9 t -69.71 -43.92 79.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.152 0.501 . . . . 0.0 110.524 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.609 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.3 -39.73 84.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.497 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -52.04 -40.65 61.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.477 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.4 p -94.86 -1.24 53.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.485 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.609 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.76 -59.92 3.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.531 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.63 92.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.515 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.813 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.6 t -63.01 -41.66 93.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.519 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.0 -39.15 74.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.516 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.42 -47.98 12.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.569 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.63 -39.11 88.14 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.549 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 1.022 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.1 -45.87 85.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.508 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.1 m -64.49 -42.28 95.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.481 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.984 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.4 m-20 -68.65 -49.96 55.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.455 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.93 -67.9 1.46 Allowed Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 1.022 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.82 -54.54 14.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.126 0.488 . . . . 0.0 110.502 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.1 -47.27 49.66 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.984 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.76 -14.42 2.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.126 0.489 . . . . 0.0 110.485 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.527 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.58 -42.52 95.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.512 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.79 -41.79 82.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.455 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.422 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.46 -41.69 79.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.475 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.605 HG22 HD12 ' A' ' 26' ' ' ILE . 96.6 mt -64.23 -49.25 82.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.454 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.534 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.43 -44.13 90.99 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.669 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.82 -54.23 19.47 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.422 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.07 -39.69 72.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.103 0.478 . . . . 0.0 110.483 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.605 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.66 -45.05 45.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.483 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.669 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.0 -30.85 24.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.452 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.663 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.92 -23.74 73.89 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.78 -33.17 23.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.136 0.493 . . . . 0.0 110.486 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.7 mt -55.41 -30.82 61.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.528 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.728 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.4 t -54.98 -35.25 33.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.513 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.32 -42.4 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.481 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.35 -48.13 81.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.463 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.11 87.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.503 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.035 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.5 t -55.93 -43.63 75.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.478 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.91 -46.28 82.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.519 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.47 -60.02 6.67 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.29 -39.51 87.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.091 0.472 . . . . 0.0 110.424 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 1.035 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.53 -44.33 88.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.51 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.522 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.76 -41.66 78.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.534 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.817 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.8 m -59.88 -50.02 75.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.526 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' MET . . . . . 1.173 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.1 ttp -63.93 -41.31 97.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.52 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.4 mt -74.95 -40.23 60.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.516 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.28 -33.37 29.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.506 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.817 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.53 -46.42 47.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.506 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 1.173 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.806 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.465 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.3 t -69.69 -43.92 79.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.147 0.499 . . . . 0.0 110.523 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.604 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.31 -39.75 84.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.502 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -51.98 -40.73 61.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.467 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.0 p -94.83 -1.27 53.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.467 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.604 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.68 -59.94 3.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.572 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.58 92.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.497 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.81 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.8 t -63.03 -41.71 93.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.503 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.91 -39.22 74.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.52 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.0 m -81.38 -48.07 12.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.546 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.55 -39.14 88.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.54 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 1.023 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.12 -45.83 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.527 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.7 m -64.48 -42.3 95.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.491 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 1.017 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.5 m-20 -68.64 -49.96 55.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.498 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.92 -67.95 1.45 Allowed Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 1.023 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.79 -54.51 14.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.184 0.516 . . . . 0.0 110.504 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.15 -47.22 50.08 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 1.017 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.82 -14.39 2.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.103 0.477 . . . . 0.0 110.454 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.534 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.51 -42.63 95.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.473 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.73 -41.83 82.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.496 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.44 -41.7 79.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.497 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.6 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.2 -49.23 82.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.456 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.52 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.43 -44.19 90.87 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.683 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.78 -54.29 19.27 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.426 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 92.0 t80 -55.98 -39.76 72.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.154 0.502 . . . . 0.0 110.49 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.6 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.62 -45.07 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.49 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.683 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.03 -30.78 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.471 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.656 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.01 -23.75 73.7 Favored Glycine 0 CA--C 1.52 0.381 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.72 -33.17 23.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.197 0.522 . . . . 0.0 110.487 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.3 mt -55.45 -30.84 61.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.493 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.6 t -54.95 -35.25 33.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.455 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.35 -42.42 93.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.51 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.27 -48.18 81.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.486 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.99 -41.18 86.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.485 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.055 ' O ' HG12 ' A' ' 39' ' ' ILE . 67.0 t -55.94 -43.53 75.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.511 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.91 -46.33 82.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.455 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.51 -59.98 6.73 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.3 -39.48 87.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.078 0.466 . . . . 0.0 110.468 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 1.055 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.51 -44.37 88.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.528 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.536 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.7 -41.74 78.69 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.517 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.813 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.84 -50.0 75.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.564 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' MET . . . . . 1.174 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.9 -41.32 97.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.527 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.99 -40.23 60.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.491 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.536 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.29 -33.36 29.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.529 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.813 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.49 -46.47 47.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.515 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 1.174 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.803 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.515 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.5 t -69.69 -43.98 79.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.127 0.489 . . . . 0.0 110.509 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.59 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.27 -39.73 85.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.516 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.02 -40.67 61.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.486 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.3 p -94.89 -1.2 53.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.456 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.59 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.75 -59.93 3.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.505 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.04 -41.54 92.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.53 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.822 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.6 t -63.06 -41.67 93.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.529 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.97 -39.21 74.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.494 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.5 m -81.34 -48.08 12.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.575 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.57 -39.14 88.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.537 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 1.007 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.05 -45.9 85.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.499 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.3 m -64.48 -42.29 95.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.474 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 1.003 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.63 -49.94 55.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.485 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.97 -67.88 1.46 Allowed Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 1.007 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.79 -54.54 14.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.169 0.509 . . . . 0.0 110.528 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.14 -47.18 50.14 Favored Glycine 0 CA--C 1.52 0.393 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 1.003 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.79 -14.42 2.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.184 0.516 . . . . 0.0 110.495 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.529 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.59 -42.52 95.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.496 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.79 -41.8 82.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.434 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.47 -41.66 79.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.514 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.606 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.23 -49.25 82.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.458 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.534 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.42 -44.18 90.9 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.679 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.79 -54.3 19.17 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.426 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.97 -39.77 72.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.121 0.486 . . . . 0.0 110.487 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.606 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.65 -45.06 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.44 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.679 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.01 -30.79 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.446 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.651 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.0 -23.77 73.66 Favored Glycine 0 CA--C 1.52 0.372 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.66 -33.22 23.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.235 0.54 . . . . 0.0 110.545 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.3 mt -55.39 -30.87 61.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.475 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.726 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.6 t -54.97 -35.27 33.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.465 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.31 -42.45 93.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.458 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.3 -48.14 81.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.478 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.17 87.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.476 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.028 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.9 t -55.89 -43.57 75.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.559 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.29 82.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.523 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.45 -60.06 6.62 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.23 -39.52 86.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.112 0.482 . . . . 0.0 110.458 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 1.028 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.3 mm -58.47 -44.36 88.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.562 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.76 -41.7 78.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.54 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.821 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.9 m -59.86 -49.98 75.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.567 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' MET . . . . . 1.142 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.1 ttp -63.94 -41.27 97.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.556 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.96 -40.28 60.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.501 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.24 -33.35 29.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.518 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.821 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.52 -46.4 48.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.513 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 1.142 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.795 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.472 0 N-CA-C 109.986 -1.245 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.0 t -69.67 -43.93 79.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.132 0.491 . . . . 0.0 110.538 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.599 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.29 -39.74 85.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.542 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -52.03 -40.68 61.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.473 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.1 p -94.87 -1.22 53.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.48 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.599 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.73 -59.93 3.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.553 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.6 92.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.533 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.812 ' CG1' HG13 ' A' ' 12' ' ' ILE . 66.9 t -63.04 -41.7 93.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.507 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.98 -39.16 74.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.538 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.5 m -81.37 -48.02 12.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.56 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.65 -39.07 88.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.552 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 1.006 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.14 -45.85 85.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.507 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.1 m -64.49 -42.26 95.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.53 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 1.002 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.5 m-20 -68.63 -50.0 54.79 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.458 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.89 -67.94 1.45 Allowed Glycine 0 CA--C 1.52 0.381 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 1.006 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.85 -54.51 14.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.133 0.492 . . . . 0.0 110.474 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.08 -47.29 49.52 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 1.002 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.78 -14.36 2.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.091 0.472 . . . . 0.0 110.445 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.531 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.55 -42.65 95.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.522 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.68 -41.79 82.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.498 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.425 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.52 -41.63 79.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.499 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.601 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.21 -49.24 82.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.48 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.573 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.46 -44.21 90.74 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.466 -1.053 . . . . 0.0 110.466 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.636 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.74 -54.24 19.68 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.425 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 92.0 t80 -56.06 -39.73 72.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.183 0.516 . . . . 0.0 110.506 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.601 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.65 -45.05 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.461 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.4 t -74.98 -30.84 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.487 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.636 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.96 -23.75 73.79 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.76 -33.16 23.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.148 0.499 . . . . 0.0 110.49 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.5 mt -55.43 -30.85 61.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.504 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.729 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.7 t -54.92 -35.33 33.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.453 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.34 -42.42 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.495 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.26 -48.19 81.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.472 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.98 -41.15 86.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.518 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.048 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.4 t -55.91 -43.61 75.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.489 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.89 -46.29 82.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.517 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.51 -60.03 6.68 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.29 -39.43 86.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.119 0.485 . . . . 0.0 110.445 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 1.048 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.58 -44.37 89.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.514 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.72 -41.7 78.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.502 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.813 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.9 -49.99 75.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.516 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' MET . . . . . 1.17 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.92 -41.29 97.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.538 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.7 mt -74.97 -40.24 60.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.547 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.26 -33.38 29.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.517 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.813 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.5 -46.47 47.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.486 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 1.17 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.792 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.455 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.72 -43.97 79.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.134 0.492 . . . . 0.0 110.496 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.581 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.31 -39.73 84.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.467 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -52.02 -40.67 61.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.516 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.4 p -94.86 -1.24 53.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.465 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.581 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.4 t -48.66 -59.97 3.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.57 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.58 92.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.533 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.825 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.8 t -63.08 -41.68 93.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.501 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.94 -39.22 74.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.509 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.36 -48.05 12.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.543 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.58 -39.13 88.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.558 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 1.018 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.07 -45.85 85.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.539 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.7 m -64.52 -42.27 95.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.49 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 1.016 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.4 m-20 -68.64 -49.94 55.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.489 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.92 -67.91 1.46 Allowed Glycine 0 CA--C 1.52 0.376 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 1.018 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.83 -54.5 14.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.132 0.491 . . . . 0.0 110.506 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.13 -47.22 50.0 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 110.506 -1.037 . . . . 0.0 110.506 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 1.016 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.82 -14.37 2.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.117 0.484 . . . . 0.0 110.476 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.536 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.56 -42.58 95.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.526 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.73 -41.79 82.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.482 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.427 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.49 -41.69 79.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.475 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.598 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.19 -49.23 82.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.501 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.58 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.41 -44.25 90.81 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 110.48 -1.048 . . . . 0.0 110.48 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.656 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.73 -54.25 19.67 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.427 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.08 -39.74 72.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.149 0.499 . . . . 0.0 110.468 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.598 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.6 -45.07 46.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.483 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.6 t -75.0 -30.82 24.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.469 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.656 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.99 -23.73 73.79 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.72 -33.19 23.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.187 0.518 . . . . 0.0 110.506 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.6 mt -55.44 -30.84 61.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.481 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.729 ' O ' HG23 ' A' ' 35' ' ' VAL . 56.2 t -54.94 -35.26 33.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.468 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.34 -42.42 93.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.509 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.29 -48.15 81.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.468 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.16 87.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.467 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.064 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.8 t -55.88 -43.6 75.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.521 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.93 -46.3 82.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.457 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.48 -60.02 6.68 Favored Glycine 0 CA--C 1.52 0.403 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.3 -39.51 87.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.113 0.482 . . . . 0.0 110.428 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 1.064 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.46 -44.39 88.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.523 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.72 -41.73 78.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.504 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.819 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.88 -49.99 75.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.539 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' MET . . . . . 1.17 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.91 -41.29 97.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.529 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.95 -40.32 60.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.488 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.2 -33.38 29.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.547 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.819 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.48 -46.45 48.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.56 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 1.17 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.79 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.45 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.64 -43.94 79.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.114 0.483 . . . . 0.0 110.553 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.592 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.31 -39.73 84.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.491 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -52.03 -40.69 61.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.508 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.0 p -94.84 -1.19 53.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.479 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.592 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.74 -59.93 3.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.552 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.58 92.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.531 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.823 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.3 t -63.08 -41.67 93.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.516 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.97 -39.14 74.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.544 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.3 m -81.39 -48.02 12.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.559 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.6 -39.13 88.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.498 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 1.019 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.15 -45.83 85.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.473 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.6 m -64.49 -42.28 95.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.499 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 1.007 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.1 m-20 -68.64 -49.99 54.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.469 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.91 -67.93 1.45 Allowed Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 1.019 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.79 -54.52 14.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.167 0.508 . . . . 0.0 110.498 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.12 -47.26 49.83 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 1.007 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.81 -14.37 2.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.162 0.506 . . . . 0.0 110.455 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.529 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.57 -42.57 95.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.491 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.8 -41.72 82.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.487 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.52 -41.63 79.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.505 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.606 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.27 -49.24 81.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.466 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.576 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.37 -44.22 90.96 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.631 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.8 -54.2 19.67 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.418 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.07 -39.76 72.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.103 0.478 . . . . 0.0 110.449 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.606 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.61 -45.06 46.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.488 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.6 t -74.96 -30.84 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.485 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.631 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.02 -23.68 73.84 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.71 -33.24 23.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.178 0.513 . . . . 0.0 110.504 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.4 mt -55.39 -30.81 61.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.504 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.729 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.6 t -54.99 -35.26 33.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.458 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.34 -42.45 93.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.462 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.29 -48.14 81.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.452 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.15 87.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.505 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.06 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.5 t -55.88 -43.64 75.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.52 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.9 -46.28 82.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.504 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.5 -60.03 6.68 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.21 -39.51 86.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.14 0.495 . . . . 0.0 110.476 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 1.06 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.52 -44.32 88.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.552 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.545 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.78 -41.65 78.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.538 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.823 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.8 m -59.91 -49.99 75.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.5 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' MET . . . . . 1.159 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.1 ttp -63.93 -41.28 97.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.531 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.98 -40.31 60.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.47 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.2 -33.39 29.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.512 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.823 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.46 -46.47 48.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.524 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 1.159 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.805 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.446 0 N-CA-C 110.006 -1.237 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.5 t -69.69 -43.94 79.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.147 0.498 . . . . 0.0 110.54 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.598 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.3 -39.74 85.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.482 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -51.96 -40.73 61.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.476 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.1 p -94.92 -1.16 53.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.438 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.598 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.72 -59.94 3.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.538 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.54 92.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.537 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.82 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.6 t -63.1 -41.7 93.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.451 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.99 -39.16 74.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.49 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.37 -48.01 12.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.584 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.65 -39.09 88.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.513 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 1.023 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.14 -45.8 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.485 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.4 m -64.53 -42.3 95.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.502 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 1.012 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.55 -49.98 55.34 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.509 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.95 -67.87 1.46 Allowed Glycine 0 CA--C 1.52 0.39 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 1.023 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.84 -54.5 14.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.146 0.498 . . . . 0.0 110.487 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.14 -47.21 50.02 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 1.012 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.87 -14.33 2.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.179 0.514 . . . . 0.0 110.457 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.526 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.62 -42.59 95.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.479 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.68 -41.76 82.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.525 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.415 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.52 -41.63 79.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.521 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.599 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.25 -49.26 81.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.469 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.53 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.37 -44.23 90.93 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.676 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.77 -54.3 19.3 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 -179.922 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.415 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.01 -39.74 72.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.161 0.505 . . . . 0.0 110.501 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.599 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.64 -45.06 45.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.459 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.676 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.01 -30.78 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.468 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.663 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.05 -23.75 73.6 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.432 -1.067 . . . . 0.0 110.432 -179.92 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.68 -33.22 23.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.22 0.533 . . . . 0.0 110.51 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.3 mt -55.38 -30.86 61.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.472 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.4 t -54.96 -35.29 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.467 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.31 -42.4 93.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.489 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.38 -48.13 81.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.457 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.0 -41.16 86.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.5 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.044 ' O ' HG12 ' A' ' 39' ' ' ILE . 67.1 t -55.89 -43.61 75.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.515 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.93 -46.25 82.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.512 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.53 -60.0 6.72 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.27 -39.5 87.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.153 0.501 . . . . 0.0 110.464 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 1.044 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.56 -44.29 88.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.519 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.545 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.6 t80 -68.8 -41.7 78.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.515 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.806 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.84 -49.99 75.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.548 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' MET . . . . . 1.161 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -64.0 -41.22 97.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.544 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.99 -40.29 60.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.471 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.22 -33.41 29.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.488 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.806 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.48 -46.41 48.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.52 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 1.161 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.787 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.474 0 N-CA-C 110.025 -1.23 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.5 t -69.7 -43.94 79.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.154 0.502 . . . . 0.0 110.514 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.586 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.34 -39.73 84.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.468 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -51.99 -40.73 61.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.495 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.4 p -94.82 -1.24 53.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.478 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.586 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.73 -59.94 3.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.507 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.59 92.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.527 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.814 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.3 t -63.02 -41.69 93.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.529 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.93 -39.23 74.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.495 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.36 -48.08 12.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.557 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.58 -39.1 88.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.522 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 1.015 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.14 -45.86 85.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.481 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.5 m -64.49 -42.27 95.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.495 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 1.003 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.2 m-20 -68.61 -49.96 55.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.522 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.94 -67.92 1.45 Allowed Glycine 0 CA--C 1.52 0.37 0 N-CA-C 110.529 -1.028 . . . . 0.0 110.529 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 1.015 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.78 -54.49 14.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.211 0.529 . . . . 0.0 110.548 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.14 -47.24 49.95 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 1.003 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.81 -14.36 2.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.139 0.495 . . . . 0.0 110.457 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.532 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.58 -42.56 95.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.498 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.75 -41.8 82.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.489 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.49 -41.71 79.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.499 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.6 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.18 -49.26 82.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.478 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.526 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.35 -44.26 90.94 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 179.898 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.685 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.77 -54.27 19.44 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.424 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.02 -39.72 72.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.125 0.488 . . . . 0.0 110.53 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.6 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.61 -45.06 46.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.509 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.685 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.02 -30.8 23.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.472 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.659 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.97 -23.78 73.69 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.71 -33.18 23.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.171 0.51 . . . . 0.0 110.497 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.5 mt -55.42 -30.81 61.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.511 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.728 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.8 t -54.98 -35.23 33.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.456 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.38 -42.41 93.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.44 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.34 -48.1 81.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.479 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.07 -41.14 87.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.464 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.033 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.6 t -55.92 -43.57 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.525 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.28 82.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.518 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.48 -60.03 6.67 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.3 -39.48 87.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.093 0.473 . . . . 0.0 110.461 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 1.033 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.51 -44.34 88.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.565 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.75 -41.69 78.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.502 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.816 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.9 -49.95 75.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.543 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' MET . . . . . 1.168 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.95 -41.29 97.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.559 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.94 -40.27 60.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.55 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.24 -33.35 29.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.525 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.816 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.5 -46.43 47.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.526 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 1.168 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.805 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.512 0 N-CA-C 110.001 -1.239 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.7 -43.94 79.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.155 0.502 . . . . 0.0 110.531 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.594 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.3 -39.73 84.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.473 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -52.01 -40.67 61.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.512 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.9 p -94.92 -1.12 53.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.456 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.594 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.4 t -48.74 -59.95 3.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.516 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.04 -41.57 92.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.513 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.818 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.8 t -63.07 -41.65 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.502 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.98 -39.16 74.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.55 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.38 -48.06 12.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.536 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.62 -39.1 88.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.527 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.992 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.1 -45.89 85.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.484 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.5 m -64.46 -42.28 96.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.49 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.998 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.1 m-20 -68.66 -49.92 55.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.49 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.99 -67.87 1.46 Allowed Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.534 -1.027 . . . . 0.0 110.534 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.992 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.8 -54.56 14.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.185 0.517 . . . . 0.0 110.528 179.922 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.09 -47.23 49.71 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.998 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.8 -14.4 2.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.131 0.491 . . . . 0.0 110.446 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.529 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.56 -42.62 95.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.483 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.67 -41.81 82.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.468 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.428 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.52 -41.67 79.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.495 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.597 HG22 HD12 ' A' ' 26' ' ' ILE . 96.6 mt -64.21 -49.19 82.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.486 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.567 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.49 -44.18 90.73 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.456 -1.058 . . . . 0.0 110.456 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.657 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.79 -54.28 19.28 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.513 -1.035 . . . . 0.0 110.513 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.428 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.97 -39.74 72.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.11 0.481 . . . . 0.0 110.481 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.597 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.64 -45.09 45.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.467 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 23' ' ' GLY . 79.0 t -74.94 -30.83 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.478 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.657 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.99 -23.73 73.78 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.71 -33.22 23.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.218 0.532 . . . . 0.0 110.505 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.4 mt -55.43 -30.78 61.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.523 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.725 ' O ' HG23 ' A' ' 35' ' ' VAL . 66.5 t -55.01 -35.25 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.488 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.34 -42.43 93.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.446 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.28 -48.18 81.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.48 -179.953 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.11 86.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.522 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.056 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.6 t -55.95 -43.53 75.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.515 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.94 -46.27 82.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.521 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.49 -60.03 6.67 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.28 -39.47 86.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.132 0.491 . . . . 0.0 110.442 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 1.056 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.3 mm -58.56 -44.34 89.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.516 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.74 -41.72 78.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.544 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.818 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.78 -50.08 75.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.538 179.929 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' MET . . . . . 1.158 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.92 -41.27 97.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.525 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.3 mt -75.0 -40.25 60.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.505 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.28 -33.32 29.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.517 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.818 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.51 -46.48 47.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.513 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 1.158 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.79 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.471 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.3 t -69.65 -43.96 79.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.136 0.493 . . . . 0.0 110.551 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.592 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.27 -39.72 84.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.496 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -52.06 -40.62 61.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.491 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.9 p -94.88 -1.21 53.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.454 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.592 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.4 t -48.79 -59.92 3.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.522 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.57 92.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.524 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.815 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.7 t -63.03 -41.67 93.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.513 179.928 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.0 -39.18 74.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.483 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.6 m -81.42 -48.0 12.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.543 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.65 -39.1 88.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.497 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 1.016 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.14 -45.84 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.496 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.9 m -64.47 -42.31 95.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.526 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 1.011 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.4 m-20 -68.6 -49.95 55.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.513 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.9 -67.9 1.46 Allowed Glycine 0 CA--C 1.52 0.366 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 1.016 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.84 -54.54 14.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.114 0.483 . . . . 0.0 110.482 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.13 -47.22 49.96 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 1.011 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.79 -14.4 2.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.157 0.503 . . . . 0.0 110.473 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.53 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.53 -42.61 95.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.51 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.79 -41.73 82.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.464 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.51 -41.73 79.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.458 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.599 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.19 -49.25 82.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.455 -179.935 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.579 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.43 -44.21 90.82 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.628 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.77 -54.23 19.65 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.42 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 92.0 t80 -56.06 -39.75 72.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.13 0.491 . . . . 0.0 110.495 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.599 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.64 -45.04 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.478 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.7 t -74.98 -30.82 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.48 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.628 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.04 -23.72 73.7 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -179.925 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.69 -33.18 23.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.235 0.541 . . . . 0.0 110.535 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.2 mt -55.38 -30.9 61.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.496 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.725 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.2 t -54.99 -35.18 33.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.477 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.4 -42.38 93.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.473 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.35 -48.13 81.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.466 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.07 -41.12 87.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.476 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.042 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.7 t -55.92 -43.59 75.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.483 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.89 -46.29 82.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.528 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.52 -60.01 6.7 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.27 -39.47 86.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.148 0.499 . . . . 0.0 110.5 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 1.042 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.5 -44.35 88.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.582 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.6 t80 -68.71 -41.75 78.64 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.523 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.816 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.83 -50.03 75.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.507 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' MET . . . . . 1.143 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.1 ttp -63.89 -41.32 97.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.57 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.4 mt -74.93 -40.29 60.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.507 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.2 -33.36 29.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.522 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.816 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.52 -46.43 47.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.517 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 1.143 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.807 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.433 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.68 -43.96 79.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.128 0.489 . . . . 0.0 110.528 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.602 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.27 -39.72 84.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.557 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.06 -40.62 61.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.539 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.4 p -94.88 -1.23 53.07 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.486 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.602 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.65 -60.0 3.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.533 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.6 92.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.531 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.823 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.8 t -63.01 -41.73 93.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.49 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.96 -39.17 74.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.501 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.2 m -81.4 -48.03 12.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.564 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.6 -39.12 88.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.568 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 1.02 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.07 -45.88 85.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.52 179.935 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.3 m -64.49 -42.3 95.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.491 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 1.013 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.64 -50.0 54.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.445 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.86 -67.91 1.46 Allowed Glycine 0 CA--C 1.52 0.366 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 1.02 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.8 -54.52 14.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.17 0.51 . . . . 0.0 110.505 179.932 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.16 -47.23 50.13 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 1.013 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.8 -14.35 2.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.14 0.495 . . . . 0.0 110.508 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.533 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.63 -42.52 95.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.52 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.76 -41.77 82.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.488 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.52 -41.67 79.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.506 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.605 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.19 -49.27 81.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.454 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.58 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.4 -44.22 90.89 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.48 -1.048 . . . . 0.0 110.48 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.653 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.75 -54.31 19.32 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.418 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.97 -39.73 72.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.162 0.506 . . . . 0.0 110.527 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.605 HD12 HG22 ' A' ' 22' ' ' ILE . 96.6 mt -74.62 -45.09 45.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.468 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.6 t -74.99 -30.86 24.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.43 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.653 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.0 -23.67 73.95 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.79 -33.19 23.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.15 0.5 . . . . 0.0 110.47 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.6 mt -55.43 -30.84 61.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.49 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.722 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.9 t -54.95 -35.3 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.419 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.35 -42.4 93.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.478 -179.923 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.31 -48.14 81.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.5 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.14 87.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.521 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.056 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.9 t -55.93 -43.59 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.508 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.85 -46.32 82.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.504 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.53 -60.04 6.69 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.0 mt -60.24 -39.47 86.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.128 0.489 . . . . 0.0 110.495 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 1.056 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.55 -44.31 89.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.503 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.536 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.76 -41.74 78.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.523 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.821 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.84 -50.0 75.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.505 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 42' ' ' MET . . . . . 1.143 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.1 ttp -63.97 -41.29 97.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.493 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.7 mt -74.96 -40.28 60.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.477 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.536 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.26 -33.34 29.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.542 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.821 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.52 -46.46 47.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.54 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 1.143 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.808 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.463 0 N-CA-C 110.016 -1.234 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.67 -43.98 79.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.129 0.49 . . . . 0.0 110.516 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.606 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.23 -39.74 85.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.55 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.0 -40.66 61.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.517 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.1 p -94.92 -1.19 53.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.469 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.606 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.73 -59.99 3.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.5 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.97 -41.55 92.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.542 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.822 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 67.1 t -63.1 -41.69 93.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.496 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.97 -39.16 74.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.526 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.3 m -81.37 -48.05 12.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.574 179.928 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.63 -39.08 88.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.527 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 1.025 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.08 -45.9 85.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.522 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.8 m -64.47 -42.28 95.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.505 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 1.002 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.2 m-20 -68.61 -49.96 55.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.467 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.97 -67.91 1.45 Allowed Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 1.025 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 11.9 tp-100 -48.75 -54.56 14.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.143 0.497 . . . . 0.0 110.51 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.08 -47.26 49.57 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 1.002 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.84 -14.37 2.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.142 0.496 . . . . 0.0 110.456 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.529 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.51 -42.64 95.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.501 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.74 -41.79 82.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.466 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.44 -41.72 79.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.478 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.594 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.2 -49.25 82.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.455 -179.913 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.529 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.42 -44.17 90.93 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.672 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.8 -54.23 19.52 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.418 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.03 -39.7 72.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.169 0.509 . . . . 0.0 110.509 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.598 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 96.7 mt -74.71 -45.04 45.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.436 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.672 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.02 -30.8 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.437 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.63 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.03 -23.75 73.63 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 -179.936 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.69 -33.2 23.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.199 0.523 . . . . 0.0 110.514 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.3 mt -55.41 -30.87 61.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.496 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.709 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.4 t -54.93 -35.25 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.512 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.31 -42.44 93.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.48 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.35 -48.12 81.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.429 -179.906 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.15 87.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.516 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.069 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.6 t -55.89 -43.56 74.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.551 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.94 -46.3 82.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.475 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.47 -60.05 6.65 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 110.446 -1.062 . . . . 0.0 110.446 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.26 -39.5 87.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.147 0.499 . . . . 0.0 110.456 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 1.069 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.52 -44.32 88.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.563 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.547 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.6 t80 -68.7 -41.73 78.71 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.559 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.812 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.9 -49.98 75.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.5 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 42' ' ' MET . . . . . 1.161 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.95 -41.24 97.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.542 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.98 -40.3 60.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.49 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.547 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.22 -33.41 29.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.497 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.812 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.46 -46.43 48.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.525 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 1.161 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.804 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.365 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -69.7 -43.92 79.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.635 -0.283 . . . . 0.0 110.549 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -66.29 -39.75 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.52 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . -51.99 -40.69 61.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.515 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -94.87 -1.2 53.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.484 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -48.72 -59.96 3.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.542 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.54 92.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.522 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -63.1 -41.64 93.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.507 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -56.95 -39.21 74.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.507 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -81.36 -48.1 12.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.523 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.55 -39.15 88.4 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.552 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -67.11 -45.77 85.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.543 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -64.57 -42.29 95.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.48 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -68.58 -49.95 55.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.509 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.95 -67.95 1.45 Allowed Glycine 0 CA--C 1.52 0.379 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . -48.8 -54.48 14.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.611 -0.294 . . . . 0.0 110.501 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.18 -47.2 50.27 Favored Glycine 0 CA--C 1.52 0.357 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . . . -55.81 -14.37 2.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.6 -0.3 . . . . 0.0 110.453 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . -64.53 -42.67 95.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.501 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -57.66 -41.84 82.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.504 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.44 -41.69 79.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.519 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -64.14 -49.29 82.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.51 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.37 -44.28 90.83 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.494 -1.042 . . . . 0.0 110.494 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.71 -54.28 19.62 Favored Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -55.99 -39.76 72.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.598 -0.301 . . . . 0.0 110.518 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -74.65 -45.0 46.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.463 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -75.05 -30.82 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.426 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.95 -23.76 73.78 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.75 -33.17 23.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.576 -0.312 . . . . 0.0 110.494 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -55.42 -30.86 61.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.485 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -54.9 -35.32 33.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.496 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -65.3 -42.41 93.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.505 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -62.3 -48.13 81.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.463 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.14 87.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.522 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -55.91 -43.57 75.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.526 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.91 -46.34 82.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.501 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.42 -60.03 6.64 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.484 -1.047 . . . . 0.0 110.484 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -60.31 -39.49 87.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.565 -0.317 . . . . 0.0 110.429 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -58.47 -44.39 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.556 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -68.71 -41.7 78.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.545 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -59.87 -50.03 75.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.536 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -63.88 -41.26 97.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.586 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -75.0 -40.26 60.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.495 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . -82.25 -33.4 29.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.514 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -73.48 -46.4 48.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.522 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.601 -0.727 . . . . 0.0 . -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 109.999 -1.241 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 77.9 t -69.66 -43.97 79.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.159 0.504 . . . . 0.0 110.511 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.585 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.29 -39.73 84.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.536 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -52.02 -40.65 61.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.511 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.3 p -94.91 -1.23 53.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.455 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.585 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.4 t -48.69 -59.96 3.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.55 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.57 92.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.516 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.814 ' CG1' HG13 ' A' ' 12' ' ' ILE . 66.8 t -63.02 -41.7 93.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.513 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.94 -39.21 74.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.511 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.38 -48.02 12.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.562 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.64 -39.1 88.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.494 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 1.002 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.18 -45.78 85.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.467 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.4 m -64.52 -42.34 95.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.467 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 1.011 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.1 m-20 -68.57 -50.02 54.91 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.481 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.9 -67.92 1.46 Allowed Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 1.002 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.8 -54.5 14.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.183 0.516 . . . . 0.0 110.528 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.15 -47.22 50.07 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 1.011 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.78 -14.41 2.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.169 0.509 . . . . 0.0 110.478 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.528 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.55 -42.59 95.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.511 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.73 -41.79 82.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.457 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.428 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.52 -41.63 79.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.504 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.584 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.26 -49.26 81.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.442 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.527 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.37 -44.19 91.03 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.678 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.8 -54.29 19.21 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.428 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.97 -39.8 72.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.146 0.498 . . . . 0.0 110.479 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.594 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 96.7 mt -74.62 -45.02 46.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.479 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.678 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.03 -30.8 23.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.477 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.662 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.01 -23.69 73.86 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.78 -33.15 23.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.132 0.491 . . . . 0.0 110.478 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.4 mt -55.45 -30.79 61.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.506 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.5 t -54.97 -35.27 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.504 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.34 -42.42 93.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.476 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.26 -48.19 81.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.489 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.95 -41.19 86.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.531 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.061 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.8 t -55.93 -43.52 75.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.546 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.97 -46.24 82.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.509 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.57 -59.98 6.76 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.0 mt -60.23 -39.52 86.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.117 0.484 . . . . 0.0 110.474 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 1.061 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.55 -44.32 89.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.504 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.505 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.77 -41.74 78.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.529 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.822 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.8 m -59.8 -49.99 75.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.557 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 1.16 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.94 -41.3 97.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.55 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.96 -40.27 60.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.499 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.27 -33.39 29.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.472 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.822 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.47 -46.45 48.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.519 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 1.16 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.819 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.448 0 N-CA-C 109.98 -1.248 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.65 -43.95 79.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.132 0.491 . . . . 0.0 110.526 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.596 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.32 -39.74 84.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.469 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -51.97 -40.7 61.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.509 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.3 p -94.84 -1.27 53.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.496 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.596 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.7 -59.97 3.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.509 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.58 92.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.486 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.817 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.5 t -63.07 -41.7 93.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.443 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.98 -39.13 74.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.509 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.1 m -81.38 -48.07 12.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.532 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.62 -39.06 88.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.561 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 1.013 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.12 -45.86 85.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.525 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.6 m -64.48 -42.3 95.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.521 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.992 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.0 m-20 -68.57 -49.98 55.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.503 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.94 -67.89 1.46 Allowed Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.549 -1.02 . . . . 0.0 110.549 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 1.013 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.83 -54.55 14.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.169 0.509 . . . . 0.0 110.493 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.12 -47.19 49.99 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.514 -1.035 . . . . 0.0 110.514 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.992 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.88 -14.34 2.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.159 0.504 . . . . 0.0 110.461 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.531 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.57 -42.62 95.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.469 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.72 -41.75 82.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.487 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.422 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.51 -41.66 79.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.526 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.601 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.18 -49.29 81.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.443 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.53 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.45 -44.13 90.94 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.693 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.82 -54.28 19.19 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.503 -1.039 . . . . 0.0 110.503 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.422 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.96 -39.77 72.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.113 0.482 . . . . 0.0 110.485 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.601 HD12 HG22 ' A' ' 22' ' ' ILE . 96.6 mt -74.63 -45.07 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.444 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.693 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.0 -30.79 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.482 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.654 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.03 -23.69 73.79 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.73 -33.25 23.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.182 0.515 . . . . 0.0 110.495 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.2 mt -55.38 -30.89 61.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.47 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.9 t -54.91 -35.28 33.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.502 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.32 -42.45 93.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.516 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.26 -48.17 81.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.461 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.04 -41.12 87.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.481 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.033 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.4 t -55.93 -43.62 75.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.518 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.84 -46.3 82.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.523 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.54 -60.0 6.73 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.29 -39.47 87.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.133 0.492 . . . . 0.0 110.457 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 1.033 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.53 -44.3 88.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.554 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.79 -41.67 78.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.535 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.809 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.88 -50.01 75.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.571 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 1.177 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.9 -41.29 97.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.557 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.97 -40.29 60.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.481 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.8 tpt180 -82.21 -33.39 29.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.523 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.809 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.5 -46.46 47.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.481 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 1.177 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.814 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.399 0 N-CA-C 110.016 -1.234 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.6 t -69.68 -43.98 79.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.145 0.498 . . . . 0.0 110.522 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.594 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.27 -39.74 85.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.511 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -52.02 -40.64 61.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.524 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.8 p -94.95 -1.16 53.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.444 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.594 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.4 t -48.72 -59.96 3.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.556 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.55 92.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.521 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.818 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.6 t -63.1 -41.65 93.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.482 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.02 -39.19 74.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.486 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.32 -48.1 12.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.566 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.58 -39.1 88.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.522 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 1.02 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.6 mm -67.13 -45.8 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.533 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.8 m -64.5 -42.35 95.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.48 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 1.007 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.61 -49.96 55.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.503 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.9 -67.93 1.46 Allowed Glycine 0 CA--C 1.52 0.39 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 1.02 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.78 -54.5 14.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.127 0.489 . . . . 0.0 110.506 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.19 -47.17 50.46 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 1.007 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.85 -14.35 2.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.145 0.498 . . . . 0.0 110.441 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.537 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.57 -42.64 95.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.461 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.72 -41.78 82.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.489 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.427 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.5 -41.67 79.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.516 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.604 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.21 -49.26 81.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.473 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.579 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.39 -44.23 90.89 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.625 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.73 -54.3 19.42 Favored Glycine 0 CA--C 1.52 0.381 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.427 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.99 -39.73 72.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.156 0.503 . . . . 0.0 110.518 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.604 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.69 -45.05 45.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.415 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.6 t -74.96 -30.85 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.46 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.625 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.01 -23.75 73.68 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.69 -33.17 23.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.182 0.515 . . . . 0.0 110.521 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.3 mt -55.45 -30.85 61.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.453 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.711 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.8 t -54.96 -35.22 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.49 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.35 -42.4 93.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.496 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.32 -48.17 81.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.444 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.07 -41.08 87.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.494 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.033 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.7 t -55.91 -43.58 75.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.54 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.9 -46.3 82.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.511 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.51 -60.01 6.7 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.23 -39.55 87.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.165 0.507 . . . . 0.0 110.488 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 1.033 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.49 -44.38 88.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.563 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.522 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.68 -41.73 78.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.502 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.818 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.86 -50.01 75.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.536 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 1.172 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.93 -41.26 97.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.568 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.98 -40.26 60.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.496 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.8 tpt180 -82.24 -33.39 29.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.494 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.818 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.49 -46.44 48.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.518 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 1.172 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.813 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.418 0 N-CA-C 110.011 -1.236 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.7 -43.99 79.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.119 0.485 . . . . 0.0 110.509 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.605 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.26 -39.73 85.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.526 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.04 -40.62 61.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.506 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.3 p -94.92 -1.22 53.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.445 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.605 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.73 -59.92 3.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.579 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.55 92.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.548 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.819 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.6 t -63.04 -41.73 93.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.512 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.94 -39.19 74.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.525 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.6 m -81.33 -48.06 12.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.579 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.62 -39.14 88.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.486 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 1.019 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.06 -45.85 85.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.532 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.6 m -64.51 -42.3 95.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.486 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 1.002 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.58 -49.97 55.28 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.532 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.92 -67.87 1.46 Allowed Glycine 0 CA--C 1.52 0.403 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 1.019 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.9 -54.47 15.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.118 0.485 . . . . 0.0 110.465 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.18 -47.14 50.47 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 1.002 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.9 -14.36 2.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.095 0.474 . . . . 0.0 110.42 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.527 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.53 -42.6 95.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.534 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.73 -41.8 82.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.433 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.422 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.5 -41.67 79.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.51 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.586 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.19 -49.24 82.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.478 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.524 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.44 -44.21 90.8 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.66 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.77 -54.25 19.55 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.422 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 92.0 t80 -56.04 -39.7 72.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.142 0.496 . . . . 0.0 110.508 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.59 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 96.6 mt -74.63 -45.04 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.485 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.66 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.09 -30.74 23.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.476 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.652 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.01 -23.75 73.69 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.72 -33.25 23.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.173 0.511 . . . . 0.0 110.458 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.4 mt -55.31 -30.9 61.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.497 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.715 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.5 t -54.97 -35.23 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.469 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.38 -42.42 93.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.459 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.34 -48.11 81.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.442 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.19 87.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.457 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.045 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.8 t -55.92 -43.57 75.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.467 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.95 -46.23 82.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.485 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.55 -60.0 6.73 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.32 -39.44 87.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.128 0.49 . . . . 0.0 110.471 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 1.045 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.53 -44.33 88.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.54 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.539 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.6 t80 -68.74 -41.75 78.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.51 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.821 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.81 -50.02 75.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.524 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 1.171 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.95 -41.29 97.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.523 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.92 -40.31 60.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.501 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.22 -33.37 29.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.506 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.821 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.49 -46.44 48.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.522 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 1.171 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.785 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.451 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.2 t -69.68 -43.97 79.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.139 0.495 . . . . 0.0 110.493 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.605 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.3 -39.74 84.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.509 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -52.01 -40.66 61.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.507 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.6 p -94.92 -1.19 53.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.433 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.605 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.72 -59.95 3.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.523 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.59 92.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.511 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.824 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.4 t -63.08 -41.64 93.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.507 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.98 -39.2 74.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.495 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.37 -48.01 12.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.572 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.6 -39.1 88.23 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.548 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 1.023 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.13 -45.84 85.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.503 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.3 m -64.47 -42.31 95.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.488 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.991 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.5 m-20 -68.64 -49.93 55.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.47 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.97 -67.85 1.46 Allowed Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 1.023 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.83 -54.52 14.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.165 0.507 . . . . 0.0 110.525 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.13 -47.22 49.98 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.991 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.86 -14.34 2.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.178 0.513 . . . . 0.0 110.479 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.53 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.51 -42.63 95.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.534 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.69 -41.84 82.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.477 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.422 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.47 -41.71 79.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.501 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.582 HG22 HD12 ' A' ' 26' ' ' ILE . 96.6 mt -64.14 -49.26 82.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.501 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.567 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.35 -44.28 90.88 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.491 -1.043 . . . . 0.0 110.491 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.655 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.76 -54.26 19.5 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.422 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.04 -39.73 72.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.147 0.498 . . . . 0.0 110.508 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.582 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.63 -45.08 45.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.442 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.6 t -74.99 -30.78 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.506 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.655 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.02 -23.71 73.78 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.77 -33.16 23.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.13 0.49 . . . . 0.0 110.461 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.5 mt -55.41 -30.84 61.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.487 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.729 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.4 t -54.99 -35.28 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.469 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.32 -42.41 93.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.485 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.32 -48.13 81.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.47 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.15 87.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.496 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.06 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.7 t -55.95 -43.55 75.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.5 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.94 -46.28 82.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.482 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.46 -60.11 6.59 Favored Glycine 0 CA--C 1.52 0.393 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.26 -39.47 86.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.101 0.476 . . . . 0.0 110.465 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 1.06 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.53 -44.36 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.495 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.54 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.72 -41.72 78.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.557 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.811 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.8 m -59.88 -49.97 75.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.545 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 1.176 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.95 -41.3 97.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.496 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.99 -40.27 60.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.522 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.23 -33.4 29.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.498 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.811 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.47 -46.42 48.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.518 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 1.176 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.825 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.527 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.69 -43.92 79.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.148 0.499 . . . . 0.0 110.543 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.591 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.27 -39.74 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.533 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.03 -40.64 61.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.509 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.3 p -94.92 -1.16 53.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.453 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.591 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.79 -59.94 3.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.503 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.61 92.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.516 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.822 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.2 t -63.07 -41.64 93.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.522 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.03 -39.14 74.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.509 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.6 m -81.39 -48.04 12.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.56 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.59 -39.14 88.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.522 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 1.01 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.12 -45.83 85.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.513 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.7 m -64.47 -42.34 95.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 1.018 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.54 -50.01 55.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.533 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.88 -67.89 1.46 Allowed Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.563 -1.015 . . . . 0.0 110.563 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 1.01 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.87 -54.47 15.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.171 0.51 . . . . 0.0 110.541 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.14 -47.2 50.06 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.504 -1.039 . . . . 0.0 110.504 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 1.018 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.84 -14.39 2.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.108 0.48 . . . . 0.0 110.44 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.532 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.52 -42.61 95.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.536 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.77 -41.77 82.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.444 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.47 -41.71 79.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.464 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.59 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.2 -49.27 81.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.466 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.524 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.37 -44.18 91.04 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.682 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.85 -54.23 19.36 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.426 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.03 -39.73 72.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.164 0.506 . . . . 0.0 110.483 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.59 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.67 -45.0 45.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.481 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.682 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.08 -30.78 23.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.444 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.659 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.0 -23.72 73.8 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.7 -33.24 23.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.135 0.493 . . . . 0.0 110.491 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.6 mt -55.39 -30.85 61.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.485 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.716 ' O ' HG23 ' A' ' 35' ' ' VAL . 67.0 t -55.01 -35.19 33.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.504 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.37 -42.43 93.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.467 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.29 -48.16 81.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.494 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.96 -41.18 86.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.52 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.062 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.6 t -55.94 -43.53 75.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.509 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.97 -46.26 82.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.46 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.5 -60.06 6.65 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.21 -39.49 86.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.138 0.495 . . . . 0.0 110.506 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 1.062 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.53 -44.31 88.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.54 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.516 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.79 -41.73 78.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.495 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.818 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.86 -49.98 75.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.555 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 1.165 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.87 -41.39 97.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.509 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.4 mt -74.94 -40.27 60.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.488 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.25 -33.38 29.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.496 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.818 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.45 -46.48 48.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.542 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 1.165 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.797 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.7 -43.96 79.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.161 0.505 . . . . 0.0 110.507 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.583 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.31 -39.74 84.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.5 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -52.03 -40.66 61.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.496 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.9 p -94.88 -1.2 53.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.44 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.583 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.73 -59.93 3.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.542 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.56 92.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.533 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.815 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.6 t -63.06 -41.68 93.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.504 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.94 -39.25 74.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.517 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.1 m -81.3 -48.1 12.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.562 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.58 -39.09 88.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.555 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.999 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.17 -45.77 85.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.492 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.3 m -64.53 -42.35 95.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.475 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.996 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.2 m-20 -68.54 -49.97 55.5 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.537 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.94 -67.85 1.46 Allowed Glycine 0 CA--C 1.52 0.381 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.999 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.83 -54.53 14.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.16 0.505 . . . . 0.0 110.527 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.13 -47.19 50.03 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.996 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.89 -14.37 2.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.142 0.496 . . . . 0.0 110.449 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.532 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.49 -42.65 95.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.528 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.7 -41.8 82.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.484 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.427 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.48 -41.67 79.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.492 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.605 HG22 HD12 ' A' ' 26' ' ' ILE . 96.6 mt -64.26 -49.25 81.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.448 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.527 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.4 -44.22 90.89 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.665 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.75 -54.28 19.45 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.427 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.01 -39.8 72.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.116 0.484 . . . . 0.0 110.456 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.605 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.6 -45.02 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.511 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.665 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.07 -30.75 23.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.448 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.663 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.03 -23.72 73.72 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.71 -33.2 23.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.163 0.506 . . . . 0.0 110.524 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.5 mt -55.39 -30.86 61.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.5 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.718 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.4 t -54.95 -35.29 33.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.491 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.29 -42.43 93.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.48 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.35 -48.08 81.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.48 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.19 87.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.523 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.058 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.8 t -55.9 -43.58 75.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.5 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.91 -46.27 82.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.489 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.55 -60.03 6.7 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.25 -39.47 86.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.129 0.49 . . . . 0.0 110.482 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 1.058 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.51 -44.38 89.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.554 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.5 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.73 -41.71 78.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.52 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.816 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.87 -50.0 75.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.563 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 1.146 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.85 -41.35 97.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.534 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.96 -40.25 60.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.521 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.28 -33.37 29.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.519 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.816 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.51 -46.42 48.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.513 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 1.146 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.823 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.46 0 N-CA-C 109.974 -1.251 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.8 t -69.66 -43.97 79.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.119 0.485 . . . . 0.0 110.526 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.59 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.26 -39.74 85.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.525 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -51.99 -40.71 61.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.493 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.4 p -94.88 -1.25 53.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.439 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.59 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.4 t -48.71 -59.95 3.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.511 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.04 -41.55 92.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.502 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.818 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.7 t -63.04 -41.7 93.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.518 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.96 -39.22 74.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.499 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.6 m -81.39 -47.99 12.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.562 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.61 -39.11 88.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.556 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 1.016 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.6 mm -67.11 -45.85 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.518 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.7 m -64.49 -42.31 95.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.513 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.996 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.4 m-20 -68.55 -50.01 55.14 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.515 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.89 -67.92 1.46 Allowed Glycine 0 CA--C 1.52 0.373 0 N-CA-C 110.544 -1.023 . . . . 0.0 110.544 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 1.016 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.7 tp60 -48.86 -54.51 15.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.117 0.484 . . . . 0.0 110.484 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.12 -47.23 49.87 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.501 -1.04 . . . . 0.0 110.501 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.996 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.7 m-20 -55.8 -14.37 2.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.147 0.498 . . . . 0.0 110.504 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.532 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.58 -42.64 95.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.467 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.68 -41.8 82.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.462 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.53 -41.61 79.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.498 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.601 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.25 -49.24 82.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.467 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.58 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.38 -44.24 90.92 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.647 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.77 -54.3 19.28 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.424 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.99 -39.75 72.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.153 0.501 . . . . 0.0 110.484 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.601 HD12 HG22 ' A' ' 22' ' ' ILE . 96.6 mt -74.61 -45.11 45.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.458 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.9 t -74.95 -30.89 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.47 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.647 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.9 -23.76 73.87 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.73 -33.19 23.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.19 0.519 . . . . 0.0 110.496 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.5 mt -55.36 -30.86 61.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.521 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.72 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.6 t -54.98 -35.26 33.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.494 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.31 -42.47 93.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.459 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.26 -48.18 81.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.459 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.04 -41.1 87.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.523 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.028 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.8 t -55.9 -43.59 75.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.541 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.29 82.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.498 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.47 -60.02 6.67 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.494 -1.042 . . . . 0.0 110.494 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.28 -39.53 87.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.076 0.465 . . . . 0.0 110.41 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 1.028 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.3 mm -58.48 -44.37 88.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.506 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.508 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.71 -41.75 78.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.539 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.816 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.8 -50.04 75.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.552 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 1.154 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.94 -41.24 97.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.565 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.4 mt -74.98 -40.24 60.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.541 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.25 -33.4 29.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.523 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.816 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.48 -46.46 48.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.504 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 1.154 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.806 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.42 0 N-CA-C 110.004 -1.238 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.6 t -69.66 -43.97 79.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.157 0.503 . . . . 0.0 110.525 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.597 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.23 -39.75 85.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.541 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -52.03 -40.68 61.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.503 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.7 p -94.83 -1.22 53.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.503 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.597 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.7 -59.93 3.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.552 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.52 92.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.518 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.812 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.8 t -63.09 -41.65 93.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.47 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.03 -39.14 74.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.499 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.2 m -81.41 -48.07 12.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.509 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.54 -39.19 88.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.547 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 1.018 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.08 -45.82 85.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.52 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.8 m -64.49 -42.33 95.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.51 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.992 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.2 m-20 -68.58 -49.98 55.26 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.499 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.9 -67.93 1.46 Allowed Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.531 -1.027 . . . . 0.0 110.531 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 1.018 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.86 -54.47 15.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.169 0.509 . . . . 0.0 110.516 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.18 -47.2 50.3 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.486 -1.045 . . . . 0.0 110.486 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.992 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.83 -14.36 2.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.152 0.501 . . . . 0.0 110.455 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.531 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.55 -42.6 95.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.521 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.75 -41.78 82.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.471 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.416 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.5 -41.7 79.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.508 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.591 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.16 -49.25 82.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.512 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.577 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.41 -44.22 90.85 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.618 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.79 -54.24 19.48 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.493 -1.043 . . . . 0.0 110.493 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.416 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.03 -39.76 72.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.101 0.477 . . . . 0.0 110.444 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.596 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 96.7 mt -74.61 -45.09 46.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.463 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.6 t -74.99 -30.82 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.439 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.618 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.98 -23.7 73.9 Favored Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.78 -33.15 23.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.194 0.521 . . . . 0.0 110.496 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.5 mt -55.45 -30.81 61.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.473 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.724 ' O ' HG23 ' A' ' 35' ' ' VAL . 66.7 t -55.0 -35.21 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.463 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.41 -42.4 93.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.463 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.31 -48.16 81.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.451 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.01 -41.13 86.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.51 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.023 ' O ' HG12 ' A' ' 39' ' ' ILE . 67.0 t -55.93 -43.63 75.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.484 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.86 -46.24 82.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.562 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.56 -60.02 6.72 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.421 -1.071 . . . . 0.0 110.421 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.0 mt -60.27 -39.52 87.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.098 0.475 . . . . 0.0 110.408 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 1.023 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.3 mm -58.48 -44.35 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.535 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.78 -41.68 78.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.506 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.823 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.8 m -59.83 -50.03 75.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.57 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 1.135 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.89 -41.28 97.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.598 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 91.9 mt -75.01 -40.24 60.73 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.531 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.25 -33.35 29.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.542 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.823 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.51 -46.45 47.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.55 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 1.135 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.79 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.447 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.2 t -69.65 -43.95 79.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.129 0.49 . . . . 0.0 110.535 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.595 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.26 -39.75 85.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.538 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -51.97 -40.75 61.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.472 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.4 p -94.88 -1.17 53.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.46 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.595 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.75 -59.97 3.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.519 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.57 92.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.522 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.813 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.4 t -63.05 -41.66 93.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.504 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.98 -39.19 74.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.515 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.39 -47.98 12.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.577 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.65 -39.11 88.08 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.518 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 1.023 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.15 -45.79 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.483 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.8 m -64.51 -42.3 95.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.517 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.983 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.2 m-20 -68.62 -49.92 55.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.525 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.96 -67.85 1.46 Allowed Glycine 0 CA--C 1.52 0.381 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 1.023 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.9 -54.44 15.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.142 0.496 . . . . 0.0 110.493 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.21 -47.18 50.53 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.983 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.86 -14.32 2.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.118 0.485 . . . . 0.0 110.458 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.525 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.6 -42.59 95.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.511 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.68 -41.85 82.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.481 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.413 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.49 -41.63 79.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.505 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.595 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.22 -49.22 82.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.476 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.564 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.43 -44.27 90.69 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.654 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.68 -54.3 19.56 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 110.511 -1.035 . . . . 0.0 110.511 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.413 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.02 -39.74 72.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.149 0.499 . . . . 0.0 110.47 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.596 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 96.7 mt -74.63 -45.08 45.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.457 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.4 t -74.98 -30.78 24.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.486 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.654 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.02 -23.7 73.78 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.8 -33.16 23.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.178 0.513 . . . . 0.0 110.468 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.6 mt -55.44 -30.83 61.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.491 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.729 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.7 t -54.98 -35.22 33.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.488 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.35 -42.37 93.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.519 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.3 -48.18 81.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.473 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.07 -41.08 87.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.507 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.038 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.9 t -55.93 -43.59 75.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.515 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.23 82.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.517 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.6 -59.99 6.76 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.27 -39.48 86.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.13 0.491 . . . . 0.0 110.493 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 1.038 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.47 -44.36 88.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.565 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.535 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.77 -41.69 78.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.496 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.81 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.87 -49.95 75.7 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.549 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 1.137 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.1 ttp -63.98 -41.26 97.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.551 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.95 -40.25 60.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.544 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.8 tpt180 -82.28 -33.38 29.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.507 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.81 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.47 -46.4 48.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.574 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 1.137 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.806 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.513 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.3 t -69.66 -43.96 79.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.129 0.49 . . . . 0.0 110.549 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.584 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.27 -39.73 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.498 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.0 -40.67 61.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.477 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.5 p -94.93 -1.2 53.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.434 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.584 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.76 -59.94 3.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.525 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.55 92.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.531 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.823 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.7 t -63.04 -41.7 93.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.503 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.98 -39.19 74.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.505 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.6 m -81.35 -48.02 12.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.563 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.64 -39.08 88.11 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.545 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 1.019 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.13 -45.85 85.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.482 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.5 m -64.51 -42.24 95.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.498 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 1.019 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.2 m-20 -68.66 -49.98 54.79 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.471 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.9 -67.93 1.46 Allowed Glycine 0 CA--C 1.52 0.374 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 1.019 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.7 tp60 -48.79 -54.54 14.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.178 0.514 . . . . 0.0 110.494 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.08 -47.26 49.56 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 1.019 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.77 -14.39 2.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.115 0.483 . . . . 0.0 110.466 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.536 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.58 -42.59 95.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.479 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.76 -41.76 82.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.498 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.423 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.48 -41.69 79.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.47 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.598 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.18 -49.27 82.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.483 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.565 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.43 -44.21 90.81 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 110.469 -1.053 . . . . 0.0 110.469 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.642 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.78 -54.23 19.61 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.423 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.03 -39.78 72.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.106 0.479 . . . . 0.0 110.471 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.598 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.61 -45.11 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.434 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.7 t -74.96 -30.82 24.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.456 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.642 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.99 -23.75 73.72 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.72 -33.2 23.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.18 0.514 . . . . 0.0 110.487 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.6 mt -55.39 -30.86 61.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.469 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.715 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.7 t -54.96 -35.27 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.46 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.35 -42.45 93.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.452 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.3 -48.14 81.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.47 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.01 -41.16 87.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.494 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.061 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.7 t -55.92 -43.61 75.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.518 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.85 -46.32 82.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.539 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.46 -60.06 6.63 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.28 -39.47 86.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.111 0.482 . . . . 0.0 110.427 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 1.061 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.53 -44.36 89.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.53 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.523 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.73 -41.65 78.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.56 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.813 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.89 -49.97 75.63 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.574 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 1.153 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.1 ttp -63.95 -41.26 97.64 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.585 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.96 -40.29 60.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.53 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.19 -33.41 29.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.559 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.813 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.49 -46.43 48.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.544 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 1.153 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.804 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.502 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.66 -43.93 79.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.157 0.504 . . . . 0.0 110.557 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.598 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.3 -39.72 84.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.509 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.07 -40.61 61.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.489 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.1 p -94.96 -1.15 53.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.44 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.598 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.76 -59.93 3.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.52 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.53 92.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.534 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.816 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.9 t -63.12 -41.67 93.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.463 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.98 -39.17 74.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.503 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.6 m -81.4 -48.02 12.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.54 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.56 -39.13 88.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.58 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.996 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.17 -45.81 85.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.471 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.6 m -64.54 -42.25 95.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.531 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 1.001 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.62 -49.94 55.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.525 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.94 -67.92 1.45 Allowed Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.996 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.85 -54.5 15.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.122 0.487 . . . . 0.0 110.461 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.09 -47.3 49.52 Favored Glycine 0 CA--C 1.52 0.356 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 1.001 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.73 -14.4 2.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.098 0.475 . . . . 0.0 110.483 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.527 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.57 -42.59 95.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.488 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.75 -41.83 82.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.443 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.427 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.45 -41.67 79.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.496 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.605 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.21 -49.24 82.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.461 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.562 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.46 -44.17 90.83 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.634 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.81 -54.28 19.23 Favored Glycine 0 CA--C 1.521 0.447 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.427 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.0 -39.73 72.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.106 0.479 . . . . 0.0 110.516 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.605 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.65 -45.08 45.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.468 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.6 t -74.95 -30.81 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.495 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.634 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.07 -23.68 73.74 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.79 -33.16 23.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.162 0.506 . . . . 0.0 110.469 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.7 mt -55.38 -30.88 61.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.497 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.722 ' O ' HG23 ' A' ' 35' ' ' VAL . 66.3 t -55.0 -35.22 33.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.439 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.37 -42.47 93.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.444 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.27 -48.13 81.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.454 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.08 -41.11 87.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.446 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.031 ' O ' HG12 ' A' ' 39' ' ' ILE . 67.1 t -55.95 -43.56 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.514 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.93 -46.3 82.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.476 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.46 -60.01 6.67 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.499 -1.04 . . . . 0.0 110.499 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.3 -39.49 87.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.126 0.489 . . . . 0.0 110.463 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 1.031 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.51 -44.35 88.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.525 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.72 -41.78 78.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.525 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.82 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.8 -50.01 75.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.569 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 1.169 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.91 -41.36 97.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.484 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.4 mt -74.93 -40.26 60.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.514 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.26 -33.4 29.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.476 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.82 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.47 -46.41 48.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.531 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 1.169 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.808 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.63 -44.0 79.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.125 0.488 . . . . 0.0 110.513 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.584 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.26 -39.75 85.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.52 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -51.97 -40.69 61.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.495 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.9 p -94.89 -1.25 53.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.45 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.584 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.69 -59.93 3.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.576 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.58 92.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.516 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.82 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.5 t -63.05 -41.67 93.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.516 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.01 -39.16 74.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.516 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.3 m -81.34 -48.09 12.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.546 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.56 -39.16 88.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.513 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 1.012 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.6 mm -67.1 -45.84 85.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.517 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.9 m -64.51 -42.29 95.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.514 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 1.009 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.6 -49.95 55.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.475 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.96 -67.96 1.45 Allowed Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 1.012 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.77 -54.53 14.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.152 0.501 . . . . 0.0 110.511 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.14 -47.18 50.13 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 1.009 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.84 -14.4 2.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.122 0.487 . . . . 0.0 110.412 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.53 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.59 -42.55 95.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.521 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.73 -41.79 82.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.488 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.42 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.48 -41.7 79.73 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.447 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.601 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.22 -49.23 82.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.451 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.532 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.43 -44.2 90.84 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.695 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.82 -54.28 19.22 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.48 -1.048 . . . . 0.0 110.48 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.42 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.98 -39.78 72.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.174 0.511 . . . . 0.0 110.499 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.601 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.63 -45.02 46.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.455 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.695 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.02 -30.8 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.483 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.66 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.06 -23.65 73.85 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.82 -33.16 22.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.145 0.497 . . . . 0.0 110.472 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.5 mt -55.45 -30.78 61.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.494 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.727 ' O ' HG23 ' A' ' 35' ' ' VAL . 66.6 t -55.01 -35.26 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.463 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.34 -42.41 93.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.474 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.29 -48.18 81.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.46 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.11 86.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.506 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.066 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.9 t -55.97 -43.58 75.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.527 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.89 -46.28 82.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.492 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.52 -60.01 6.71 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.443 -1.063 . . . . 0.0 110.443 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.32 -39.41 86.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.108 0.48 . . . . 0.0 110.441 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 1.066 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.6 mm -58.6 -44.29 89.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.549 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.505 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.8 -41.7 78.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.52 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.814 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.82 -50.0 75.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.571 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 1.169 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.93 -41.31 97.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.535 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.7 mt -74.96 -40.28 60.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.536 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.18 -33.42 29.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.513 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.814 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.44 -46.48 48.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.549 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 1.169 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.795 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.424 0 N-CA-C 109.986 -1.246 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.7 -43.95 79.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.119 0.485 . . . . 0.0 110.516 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.602 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.26 -39.74 85.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.506 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.04 -40.66 61.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.489 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.3 p -94.87 -1.2 53.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.475 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.602 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.71 -59.95 3.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.548 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.58 92.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.529 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.82 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.6 t -63.09 -41.65 93.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.486 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.0 -39.15 74.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.489 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.3 m -81.43 -48.04 12.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.504 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.58 -39.13 88.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.535 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 1.021 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.16 -45.8 85.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.492 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.7 m -64.49 -42.32 95.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.5 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 1.008 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.6 m-20 -68.58 -49.96 55.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.495 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.97 -67.89 1.46 Allowed Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 1.021 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.84 -54.54 14.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.129 0.49 . . . . 0.0 110.458 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.09 -47.22 49.76 Favored Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 1.008 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.83 -14.39 2.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.15 0.5 . . . . 0.0 110.465 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.536 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.52 -42.62 95.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.491 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.73 -41.81 82.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.465 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.45 -41.63 79.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.533 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.597 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.24 -49.24 82.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.489 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.53 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.39 -44.18 90.98 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.69 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.79 -54.3 19.21 Favored Glycine 0 CA--C 1.52 0.367 0 N-CA-C 110.496 -1.041 . . . . 0.0 110.496 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.424 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.97 -39.75 72.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.138 0.494 . . . . 0.0 110.542 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.599 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 96.7 mt -74.64 -45.03 46.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.493 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.69 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.03 -30.78 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.477 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.637 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.02 -23.72 73.73 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.74 -33.17 23.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.204 0.526 . . . . 0.0 110.514 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.6 mt -55.45 -30.83 61.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.505 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.8 t -54.93 -35.27 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.487 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.36 -42.4 93.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.516 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.28 -48.13 81.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.492 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.06 -41.15 87.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.473 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.043 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.9 t -55.87 -43.65 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.482 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.84 -46.26 82.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.542 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.49 -60.07 6.63 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.19 -39.57 86.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.15 0.5 . . . . 0.0 110.46 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 1.043 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.43 -44.41 88.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.533 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.535 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.72 -41.73 78.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.503 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.817 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.8 -50.03 75.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.563 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 1.163 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.9 -41.33 97.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.515 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.3 mt -74.98 -40.21 60.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.523 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.8 tpt180 -82.29 -33.4 29.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.482 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.817 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.48 -46.4 48.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.53 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 1.163 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.785 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.417 0 N-CA-C 110.026 -1.229 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.9 t -69.71 -43.92 79.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.152 0.501 . . . . 0.0 110.524 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.609 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.3 -39.73 84.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.497 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -52.04 -40.65 61.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.477 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.4 p -94.86 -1.24 53.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.485 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.609 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.76 -59.92 3.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.531 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.63 92.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.515 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.813 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.6 t -63.01 -41.66 93.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.519 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.0 -39.15 74.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.516 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.42 -47.98 12.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.569 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.63 -39.11 88.14 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.549 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 1.022 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.1 -45.87 85.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.508 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.1 m -64.49 -42.28 95.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.481 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.984 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.4 m-20 -68.65 -49.96 55.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.455 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.93 -67.9 1.46 Allowed Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 1.022 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.82 -54.54 14.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.126 0.488 . . . . 0.0 110.502 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.1 -47.27 49.66 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.984 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.76 -14.42 2.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.126 0.489 . . . . 0.0 110.485 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.527 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.58 -42.52 95.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.512 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.79 -41.79 82.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.455 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.422 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.46 -41.69 79.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.475 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.605 HG22 HD12 ' A' ' 26' ' ' ILE . 96.6 mt -64.23 -49.25 82.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.454 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.534 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.43 -44.13 90.99 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.669 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.82 -54.23 19.47 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.422 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.07 -39.69 72.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.103 0.478 . . . . 0.0 110.483 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.605 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.66 -45.05 45.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.483 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.669 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.0 -30.85 24.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.452 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.663 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.92 -23.74 73.89 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.78 -33.17 23.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.136 0.493 . . . . 0.0 110.486 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.7 mt -55.41 -30.82 61.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.528 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.728 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.4 t -54.98 -35.25 33.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.513 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.32 -42.4 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.481 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.35 -48.13 81.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.463 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.11 87.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.503 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.035 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.5 t -55.93 -43.63 75.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.478 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.91 -46.28 82.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.519 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.47 -60.02 6.67 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.29 -39.51 87.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.091 0.472 . . . . 0.0 110.424 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 1.035 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.53 -44.33 88.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.51 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.522 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.76 -41.66 78.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.534 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.817 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.8 m -59.88 -50.02 75.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.526 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 1.173 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.1 ttp -63.93 -41.31 97.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.52 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.4 mt -74.95 -40.23 60.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.516 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.28 -33.37 29.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.506 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.817 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.53 -46.42 47.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.506 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 1.173 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.806 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.465 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.3 t -69.69 -43.92 79.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.147 0.499 . . . . 0.0 110.523 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.604 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.31 -39.75 84.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.502 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -51.98 -40.73 61.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.467 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.0 p -94.83 -1.27 53.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.467 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.604 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.68 -59.94 3.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.572 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.58 92.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.497 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.81 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.8 t -63.03 -41.71 93.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.503 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.91 -39.22 74.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.52 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.0 m -81.38 -48.07 12.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.546 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.55 -39.14 88.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.54 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 1.023 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.12 -45.83 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.527 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.7 m -64.48 -42.3 95.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.491 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 1.017 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.5 m-20 -68.64 -49.96 55.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.498 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.92 -67.95 1.45 Allowed Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 1.023 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.79 -54.51 14.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.184 0.516 . . . . 0.0 110.504 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.15 -47.22 50.08 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 1.017 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.82 -14.39 2.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.103 0.477 . . . . 0.0 110.454 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.534 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.51 -42.63 95.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.473 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.73 -41.83 82.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.496 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.44 -41.7 79.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.497 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.6 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.2 -49.23 82.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.456 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.52 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.43 -44.19 90.87 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.683 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.78 -54.29 19.27 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.426 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 92.0 t80 -55.98 -39.76 72.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.154 0.502 . . . . 0.0 110.49 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.6 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.62 -45.07 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.49 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.683 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.03 -30.78 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.471 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.656 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.01 -23.75 73.7 Favored Glycine 0 CA--C 1.52 0.381 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.72 -33.17 23.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.197 0.522 . . . . 0.0 110.487 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.3 mt -55.45 -30.84 61.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.493 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.6 t -54.95 -35.25 33.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.455 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.35 -42.42 93.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.51 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.27 -48.18 81.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.486 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.99 -41.18 86.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.485 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.055 ' O ' HG12 ' A' ' 39' ' ' ILE . 67.0 t -55.94 -43.53 75.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.511 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.91 -46.33 82.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.455 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.51 -59.98 6.73 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.3 -39.48 87.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.078 0.466 . . . . 0.0 110.468 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 1.055 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.51 -44.37 88.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.528 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.536 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.7 -41.74 78.69 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.517 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.813 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.84 -50.0 75.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.564 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 1.174 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.9 -41.32 97.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.527 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.99 -40.23 60.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.491 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.536 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.29 -33.36 29.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.529 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.813 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.49 -46.47 47.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.515 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 1.174 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.803 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.515 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.5 t -69.69 -43.98 79.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.127 0.489 . . . . 0.0 110.509 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.59 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.27 -39.73 85.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.516 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.02 -40.67 61.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.486 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.3 p -94.89 -1.2 53.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.456 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.59 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.75 -59.93 3.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.505 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.04 -41.54 92.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.53 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.822 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.6 t -63.06 -41.67 93.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.529 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.97 -39.21 74.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.494 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.5 m -81.34 -48.08 12.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.575 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.57 -39.14 88.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.537 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 1.007 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.05 -45.9 85.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.499 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.3 m -64.48 -42.29 95.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.474 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 1.003 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.63 -49.94 55.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.485 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.97 -67.88 1.46 Allowed Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 1.007 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.79 -54.54 14.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.169 0.509 . . . . 0.0 110.528 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.14 -47.18 50.14 Favored Glycine 0 CA--C 1.52 0.393 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 1.003 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.79 -14.42 2.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.184 0.516 . . . . 0.0 110.495 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.529 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.59 -42.52 95.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.496 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.79 -41.8 82.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.434 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.47 -41.66 79.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.514 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.606 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.23 -49.25 82.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.458 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.534 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.42 -44.18 90.9 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.679 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.79 -54.3 19.17 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.426 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.97 -39.77 72.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.121 0.486 . . . . 0.0 110.487 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.606 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.65 -45.06 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.44 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.679 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.01 -30.79 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.446 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.651 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.0 -23.77 73.66 Favored Glycine 0 CA--C 1.52 0.372 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.66 -33.22 23.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.235 0.54 . . . . 0.0 110.545 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.3 mt -55.39 -30.87 61.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.475 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.726 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.6 t -54.97 -35.27 33.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.465 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.31 -42.45 93.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.458 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.3 -48.14 81.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.478 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.17 87.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.476 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.028 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.9 t -55.89 -43.57 75.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.559 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.29 82.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.523 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.45 -60.06 6.62 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.23 -39.52 86.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.112 0.482 . . . . 0.0 110.458 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 1.028 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.3 mm -58.47 -44.36 88.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.562 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.76 -41.7 78.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.54 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.821 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.9 m -59.86 -49.98 75.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.567 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 1.142 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.1 ttp -63.94 -41.27 97.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.556 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.96 -40.28 60.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.501 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.24 -33.35 29.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.518 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.821 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.52 -46.4 48.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.513 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 1.142 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.795 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.472 0 N-CA-C 109.986 -1.245 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.0 t -69.67 -43.93 79.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.132 0.491 . . . . 0.0 110.538 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.599 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.29 -39.74 85.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.542 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -52.03 -40.68 61.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.473 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.1 p -94.87 -1.22 53.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.48 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.599 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.73 -59.93 3.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.553 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.6 92.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.533 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.812 ' CG1' HG13 ' A' ' 12' ' ' ILE . 66.9 t -63.04 -41.7 93.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.507 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.98 -39.16 74.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.538 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.5 m -81.37 -48.02 12.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.56 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.65 -39.07 88.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.552 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 1.006 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.14 -45.85 85.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.507 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.1 m -64.49 -42.26 95.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.53 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 1.002 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.5 m-20 -68.63 -50.0 54.79 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.458 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.89 -67.94 1.45 Allowed Glycine 0 CA--C 1.52 0.381 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 1.006 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.85 -54.51 14.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.133 0.492 . . . . 0.0 110.474 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.08 -47.29 49.52 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 1.002 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.78 -14.36 2.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.091 0.472 . . . . 0.0 110.445 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.531 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.55 -42.65 95.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.522 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.68 -41.79 82.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.498 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.425 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.52 -41.63 79.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.499 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.601 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.21 -49.24 82.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.48 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.573 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.46 -44.21 90.74 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.466 -1.053 . . . . 0.0 110.466 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.636 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.74 -54.24 19.68 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.425 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 92.0 t80 -56.06 -39.73 72.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.183 0.516 . . . . 0.0 110.506 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.601 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.65 -45.05 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.461 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.4 t -74.98 -30.84 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.487 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.636 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.96 -23.75 73.79 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.76 -33.16 23.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.148 0.499 . . . . 0.0 110.49 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.5 mt -55.43 -30.85 61.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.504 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.729 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.7 t -54.92 -35.33 33.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.453 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.34 -42.42 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.495 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.26 -48.19 81.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.472 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.98 -41.15 86.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.518 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.048 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.4 t -55.91 -43.61 75.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.489 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.89 -46.29 82.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.517 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.51 -60.03 6.68 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.29 -39.43 86.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.119 0.485 . . . . 0.0 110.445 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 1.048 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.58 -44.37 89.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.514 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.72 -41.7 78.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.502 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.813 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.9 -49.99 75.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.516 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 1.17 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.92 -41.29 97.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.538 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.7 mt -74.97 -40.24 60.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.547 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.26 -33.38 29.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.517 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.813 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.5 -46.47 47.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.486 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 1.17 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.792 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.455 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.72 -43.97 79.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.134 0.492 . . . . 0.0 110.496 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.581 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.31 -39.73 84.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.467 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -52.02 -40.67 61.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.516 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.4 p -94.86 -1.24 53.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.465 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.581 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.4 t -48.66 -59.97 3.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.57 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.58 92.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.533 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.825 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.8 t -63.08 -41.68 93.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.501 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.94 -39.22 74.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.509 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.36 -48.05 12.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.543 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.58 -39.13 88.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.558 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 1.018 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.07 -45.85 85.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.539 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.7 m -64.52 -42.27 95.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.49 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 1.016 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.4 m-20 -68.64 -49.94 55.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.489 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.92 -67.91 1.46 Allowed Glycine 0 CA--C 1.52 0.376 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 1.018 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.83 -54.5 14.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.132 0.491 . . . . 0.0 110.506 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.13 -47.22 50.0 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 110.506 -1.037 . . . . 0.0 110.506 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 1.016 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.82 -14.37 2.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.117 0.484 . . . . 0.0 110.476 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.536 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.56 -42.58 95.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.526 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.73 -41.79 82.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.482 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.427 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.49 -41.69 79.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.475 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.598 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.19 -49.23 82.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.501 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.58 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.41 -44.25 90.81 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 110.48 -1.048 . . . . 0.0 110.48 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.656 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.73 -54.25 19.67 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.427 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.08 -39.74 72.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.149 0.499 . . . . 0.0 110.468 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.598 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.6 -45.07 46.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.483 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.6 t -75.0 -30.82 24.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.469 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.656 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.99 -23.73 73.79 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.72 -33.19 23.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.187 0.518 . . . . 0.0 110.506 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.6 mt -55.44 -30.84 61.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.481 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.729 ' O ' HG23 ' A' ' 35' ' ' VAL . 56.2 t -54.94 -35.26 33.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.468 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.34 -42.42 93.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.509 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.29 -48.15 81.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.468 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.16 87.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.467 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.064 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.8 t -55.88 -43.6 75.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.521 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.93 -46.3 82.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.457 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.48 -60.02 6.68 Favored Glycine 0 CA--C 1.52 0.403 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.3 -39.51 87.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.113 0.482 . . . . 0.0 110.428 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 1.064 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.46 -44.39 88.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.523 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.72 -41.73 78.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.504 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.819 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.88 -49.99 75.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.539 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 1.17 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.91 -41.29 97.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.529 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.95 -40.32 60.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.488 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.2 -33.38 29.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.547 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.819 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.48 -46.45 48.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.56 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 1.17 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.79 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.45 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.64 -43.94 79.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.114 0.483 . . . . 0.0 110.553 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.592 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.31 -39.73 84.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.491 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -52.03 -40.69 61.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.508 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.0 p -94.84 -1.19 53.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.479 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.592 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.74 -59.93 3.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.552 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.58 92.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.531 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.823 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.3 t -63.08 -41.67 93.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.516 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.97 -39.14 74.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.544 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.3 m -81.39 -48.02 12.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.559 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.6 -39.13 88.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.498 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 1.019 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.15 -45.83 85.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.473 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.6 m -64.49 -42.28 95.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.499 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 1.007 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.1 m-20 -68.64 -49.99 54.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.469 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.91 -67.93 1.45 Allowed Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 1.019 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.79 -54.52 14.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.167 0.508 . . . . 0.0 110.498 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.12 -47.26 49.83 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 1.007 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.81 -14.37 2.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.162 0.506 . . . . 0.0 110.455 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.529 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.57 -42.57 95.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.491 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.8 -41.72 82.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.487 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.52 -41.63 79.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.505 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.606 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.27 -49.24 81.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.466 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.576 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.37 -44.22 90.96 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.631 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.8 -54.2 19.67 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.418 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.07 -39.76 72.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.103 0.478 . . . . 0.0 110.449 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.606 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.61 -45.06 46.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.488 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.6 t -74.96 -30.84 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.485 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.631 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.02 -23.68 73.84 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.71 -33.24 23.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.178 0.513 . . . . 0.0 110.504 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.4 mt -55.39 -30.81 61.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.504 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.729 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.6 t -54.99 -35.26 33.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.458 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.34 -42.45 93.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.462 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.29 -48.14 81.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.452 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.15 87.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.505 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.06 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.5 t -55.88 -43.64 75.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.52 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.9 -46.28 82.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.504 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.5 -60.03 6.68 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.21 -39.51 86.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.14 0.495 . . . . 0.0 110.476 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 1.06 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.52 -44.32 88.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.552 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.545 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.78 -41.65 78.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.538 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.823 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.8 m -59.91 -49.99 75.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.5 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 1.159 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.1 ttp -63.93 -41.28 97.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.531 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.98 -40.31 60.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.47 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.2 -33.39 29.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.512 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.823 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.46 -46.47 48.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.524 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 1.159 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.805 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.446 0 N-CA-C 110.006 -1.237 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.5 t -69.69 -43.94 79.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.147 0.498 . . . . 0.0 110.54 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.598 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.3 -39.74 85.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.482 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -51.96 -40.73 61.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.476 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.1 p -94.92 -1.16 53.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.438 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.598 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.72 -59.94 3.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.538 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.54 92.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.537 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.82 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.6 t -63.1 -41.7 93.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.451 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.99 -39.16 74.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.49 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.37 -48.01 12.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.584 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.65 -39.09 88.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.513 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 1.023 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.14 -45.8 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.485 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.4 m -64.53 -42.3 95.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.502 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 1.012 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.55 -49.98 55.34 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.509 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.95 -67.87 1.46 Allowed Glycine 0 CA--C 1.52 0.39 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 1.023 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.84 -54.5 14.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.146 0.498 . . . . 0.0 110.487 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.14 -47.21 50.02 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 1.012 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.87 -14.33 2.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.179 0.514 . . . . 0.0 110.457 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.526 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.62 -42.59 95.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.479 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.68 -41.76 82.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.525 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.415 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.52 -41.63 79.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.521 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.599 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.25 -49.26 81.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.469 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.53 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.37 -44.23 90.93 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.676 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.77 -54.3 19.3 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 -179.922 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.415 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.01 -39.74 72.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.161 0.505 . . . . 0.0 110.501 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.599 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.64 -45.06 45.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.459 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.676 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.01 -30.78 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.468 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.663 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.05 -23.75 73.6 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.432 -1.067 . . . . 0.0 110.432 -179.92 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.68 -33.22 23.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.22 0.533 . . . . 0.0 110.51 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.3 mt -55.38 -30.86 61.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.472 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.4 t -54.96 -35.29 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.467 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.31 -42.4 93.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.489 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.38 -48.13 81.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.457 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.0 -41.16 86.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.5 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.044 ' O ' HG12 ' A' ' 39' ' ' ILE . 67.1 t -55.89 -43.61 75.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.515 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.93 -46.25 82.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.512 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.53 -60.0 6.72 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.27 -39.5 87.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.153 0.501 . . . . 0.0 110.464 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 1.044 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.56 -44.29 88.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.519 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.545 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.6 t80 -68.8 -41.7 78.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.515 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.806 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.84 -49.99 75.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.548 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 1.161 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -64.0 -41.22 97.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.544 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.99 -40.29 60.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.471 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.22 -33.41 29.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.488 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.806 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.48 -46.41 48.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.52 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 1.161 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.787 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.474 0 N-CA-C 110.025 -1.23 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.5 t -69.7 -43.94 79.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.154 0.502 . . . . 0.0 110.514 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.586 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.34 -39.73 84.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.468 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -51.99 -40.73 61.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.495 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.4 p -94.82 -1.24 53.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.478 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.586 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.73 -59.94 3.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.507 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.59 92.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.527 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.814 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.3 t -63.02 -41.69 93.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.529 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.93 -39.23 74.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.495 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.36 -48.08 12.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.557 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.58 -39.1 88.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.522 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 1.015 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.14 -45.86 85.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.481 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.5 m -64.49 -42.27 95.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.495 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 1.003 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.2 m-20 -68.61 -49.96 55.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.522 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.94 -67.92 1.45 Allowed Glycine 0 CA--C 1.52 0.37 0 N-CA-C 110.529 -1.028 . . . . 0.0 110.529 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 1.015 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.78 -54.49 14.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.211 0.529 . . . . 0.0 110.548 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.14 -47.24 49.95 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 1.003 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.81 -14.36 2.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.139 0.495 . . . . 0.0 110.457 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.532 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.58 -42.56 95.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.498 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.75 -41.8 82.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.489 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.49 -41.71 79.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.499 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.6 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.18 -49.26 82.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.478 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.526 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.35 -44.26 90.94 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 179.898 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.685 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.77 -54.27 19.44 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.424 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.02 -39.72 72.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.125 0.488 . . . . 0.0 110.53 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.6 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.61 -45.06 46.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.509 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.685 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.02 -30.8 23.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.472 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.659 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.97 -23.78 73.69 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.71 -33.18 23.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.171 0.51 . . . . 0.0 110.497 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.5 mt -55.42 -30.81 61.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.511 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.728 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.8 t -54.98 -35.23 33.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.456 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.38 -42.41 93.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.44 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.34 -48.1 81.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.479 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.07 -41.14 87.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.464 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.033 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.6 t -55.92 -43.57 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.525 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.28 82.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.518 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.48 -60.03 6.67 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.3 -39.48 87.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.093 0.473 . . . . 0.0 110.461 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 1.033 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.51 -44.34 88.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.565 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.75 -41.69 78.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.502 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.816 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.9 -49.95 75.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.543 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 1.168 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.95 -41.29 97.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.559 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.94 -40.27 60.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.55 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.24 -33.35 29.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.525 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.816 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.5 -46.43 47.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.526 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 1.168 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.805 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.512 0 N-CA-C 110.001 -1.239 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.7 -43.94 79.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.155 0.502 . . . . 0.0 110.531 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.594 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.3 -39.73 84.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.473 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -52.01 -40.67 61.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.512 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.9 p -94.92 -1.12 53.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.456 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.594 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.4 t -48.74 -59.95 3.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.516 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.04 -41.57 92.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.513 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.818 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.8 t -63.07 -41.65 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.502 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.98 -39.16 74.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.55 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.38 -48.06 12.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.536 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.62 -39.1 88.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.527 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.992 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.1 -45.89 85.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.484 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.5 m -64.46 -42.28 96.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.49 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.998 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.1 m-20 -68.66 -49.92 55.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.49 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.99 -67.87 1.46 Allowed Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.534 -1.027 . . . . 0.0 110.534 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.992 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.8 -54.56 14.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.185 0.517 . . . . 0.0 110.528 179.922 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.09 -47.23 49.71 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.998 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.8 -14.4 2.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.131 0.491 . . . . 0.0 110.446 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.529 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.56 -42.62 95.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.483 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.67 -41.81 82.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.468 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.428 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.52 -41.67 79.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.495 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.597 HG22 HD12 ' A' ' 26' ' ' ILE . 96.6 mt -64.21 -49.19 82.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.486 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.567 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.49 -44.18 90.73 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.456 -1.058 . . . . 0.0 110.456 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.657 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.79 -54.28 19.28 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.513 -1.035 . . . . 0.0 110.513 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.428 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.97 -39.74 72.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.11 0.481 . . . . 0.0 110.481 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.597 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.64 -45.09 45.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.467 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 23' ' ' GLY . 79.0 t -74.94 -30.83 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.478 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.657 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.99 -23.73 73.78 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.71 -33.22 23.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.218 0.532 . . . . 0.0 110.505 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.4 mt -55.43 -30.78 61.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.523 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.725 ' O ' HG23 ' A' ' 35' ' ' VAL . 66.5 t -55.01 -35.25 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.488 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.34 -42.43 93.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.446 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.28 -48.18 81.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.48 -179.953 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.11 86.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.522 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.056 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.6 t -55.95 -43.53 75.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.515 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.94 -46.27 82.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.521 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.49 -60.03 6.67 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.28 -39.47 86.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.132 0.491 . . . . 0.0 110.442 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 1.056 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.3 mm -58.56 -44.34 89.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.516 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.74 -41.72 78.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.544 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.818 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.78 -50.08 75.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.538 179.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 1.158 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.92 -41.27 97.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.525 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.3 mt -75.0 -40.25 60.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.505 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.28 -33.32 29.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.517 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.818 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.51 -46.48 47.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.513 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 1.158 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.79 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.471 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.3 t -69.65 -43.96 79.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.136 0.493 . . . . 0.0 110.551 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.592 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.27 -39.72 84.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.496 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -52.06 -40.62 61.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.491 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.9 p -94.88 -1.21 53.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.454 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.592 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.4 t -48.79 -59.92 3.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.522 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.57 92.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.524 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.815 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.7 t -63.03 -41.67 93.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.513 179.928 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.0 -39.18 74.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.483 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.6 m -81.42 -48.0 12.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.543 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.65 -39.1 88.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.497 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 1.016 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.14 -45.84 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.496 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.9 m -64.47 -42.31 95.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.526 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 1.011 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.4 m-20 -68.6 -49.95 55.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.513 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.9 -67.9 1.46 Allowed Glycine 0 CA--C 1.52 0.366 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 1.016 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.84 -54.54 14.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.114 0.483 . . . . 0.0 110.482 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.13 -47.22 49.96 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 1.011 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.79 -14.4 2.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.157 0.503 . . . . 0.0 110.473 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.53 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.53 -42.61 95.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.51 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.79 -41.73 82.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.464 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.42 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.51 -41.73 79.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.458 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.599 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.19 -49.25 82.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.455 -179.935 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.579 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.43 -44.21 90.82 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.628 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.77 -54.23 19.65 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.42 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 92.0 t80 -56.06 -39.75 72.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.13 0.491 . . . . 0.0 110.495 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.599 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.64 -45.04 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.478 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.7 t -74.98 -30.82 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.48 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.628 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.04 -23.72 73.7 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -179.925 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.69 -33.18 23.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.235 0.541 . . . . 0.0 110.535 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.2 mt -55.38 -30.9 61.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.496 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.725 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.2 t -54.99 -35.18 33.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.477 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.4 -42.38 93.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.473 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.35 -48.13 81.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.466 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.07 -41.12 87.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.476 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.042 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.7 t -55.92 -43.59 75.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.483 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.89 -46.29 82.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.528 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.52 -60.01 6.7 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.27 -39.47 86.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.148 0.499 . . . . 0.0 110.5 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 1.042 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.5 -44.35 88.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.582 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.6 t80 -68.71 -41.75 78.64 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.523 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.816 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.83 -50.03 75.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.507 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 1.143 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.1 ttp -63.89 -41.32 97.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.57 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.4 mt -74.93 -40.29 60.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.507 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.2 -33.36 29.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.522 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.816 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.52 -46.43 47.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.517 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 1.143 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.807 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.433 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.68 -43.96 79.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.128 0.489 . . . . 0.0 110.528 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.602 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.27 -39.72 84.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.557 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.06 -40.62 61.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.539 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.4 p -94.88 -1.23 53.07 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.486 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.602 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.65 -60.0 3.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.533 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.6 92.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.531 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.823 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.8 t -63.01 -41.73 93.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.49 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.96 -39.17 74.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.501 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.2 m -81.4 -48.03 12.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.564 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.6 -39.12 88.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.568 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 1.02 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.07 -45.88 85.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.52 179.935 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.3 m -64.49 -42.3 95.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.491 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 1.013 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.64 -50.0 54.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.445 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.86 -67.91 1.46 Allowed Glycine 0 CA--C 1.52 0.366 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 1.02 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.8 -54.52 14.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.17 0.51 . . . . 0.0 110.505 179.932 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.16 -47.23 50.13 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 1.013 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.8 -14.35 2.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.14 0.495 . . . . 0.0 110.508 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.533 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.63 -42.52 95.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.52 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.76 -41.77 82.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.488 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.52 -41.67 79.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.506 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.605 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.19 -49.27 81.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.454 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.58 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.4 -44.22 90.89 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.48 -1.048 . . . . 0.0 110.48 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.653 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.75 -54.31 19.32 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.418 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.97 -39.73 72.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.162 0.506 . . . . 0.0 110.527 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.605 HD12 HG22 ' A' ' 22' ' ' ILE . 96.6 mt -74.62 -45.09 45.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.468 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.6 t -74.99 -30.86 24.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.43 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.653 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.0 -23.67 73.95 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.79 -33.19 23.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.15 0.5 . . . . 0.0 110.47 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.6 mt -55.43 -30.84 61.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.49 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.722 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.9 t -54.95 -35.3 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.419 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.35 -42.4 93.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.478 -179.923 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.31 -48.14 81.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.5 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.14 87.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.521 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.056 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.9 t -55.93 -43.59 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.508 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.85 -46.32 82.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.504 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.53 -60.04 6.69 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.0 mt -60.24 -39.47 86.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.128 0.489 . . . . 0.0 110.495 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 1.056 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.55 -44.31 89.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.503 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.536 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.76 -41.74 78.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.523 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.821 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.84 -50.0 75.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.505 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 1.143 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.1 ttp -63.97 -41.29 97.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.493 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.7 mt -74.96 -40.28 60.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.477 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.536 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.26 -33.34 29.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.542 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.821 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.52 -46.46 47.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.54 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 1.143 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.808 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.463 0 N-CA-C 110.016 -1.234 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.67 -43.98 79.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.129 0.49 . . . . 0.0 110.516 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.606 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.23 -39.74 85.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.55 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.0 -40.66 61.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.517 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.1 p -94.92 -1.19 53.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.469 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.606 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.73 -59.99 3.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.5 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.97 -41.55 92.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.542 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.822 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 67.1 t -63.1 -41.69 93.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.496 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.97 -39.16 74.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.526 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.3 m -81.37 -48.05 12.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.574 179.928 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.63 -39.08 88.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.527 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 1.025 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.08 -45.9 85.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.522 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.8 m -64.47 -42.28 95.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.505 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 1.002 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.2 m-20 -68.61 -49.96 55.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.467 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.97 -67.91 1.45 Allowed Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 1.025 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.75 -54.56 14.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.143 0.497 . . . . 0.0 110.51 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.08 -47.26 49.57 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 1.002 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.84 -14.37 2.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.142 0.496 . . . . 0.0 110.456 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.529 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.51 -42.64 95.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.501 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.74 -41.79 82.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.466 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.44 -41.72 79.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.478 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.594 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.2 -49.25 82.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.455 -179.913 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.529 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.42 -44.17 90.93 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.672 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.8 -54.23 19.52 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.418 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.03 -39.7 72.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.169 0.509 . . . . 0.0 110.509 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.598 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 96.7 mt -74.71 -45.04 45.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.436 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.672 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.02 -30.8 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.437 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.63 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.03 -23.75 73.63 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 -179.936 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.69 -33.2 23.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.199 0.523 . . . . 0.0 110.514 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.3 mt -55.41 -30.87 61.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.496 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.709 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.4 t -54.93 -35.25 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.512 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.31 -42.44 93.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.48 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.35 -48.12 81.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.429 -179.906 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.15 87.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.516 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.069 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.6 t -55.89 -43.56 74.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.551 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.94 -46.3 82.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.475 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.47 -60.05 6.65 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 110.446 -1.062 . . . . 0.0 110.446 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.26 -39.5 87.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.147 0.499 . . . . 0.0 110.456 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 1.069 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.52 -44.32 88.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.563 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.547 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.6 t80 -68.7 -41.73 78.71 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.559 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.812 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.9 -49.98 75.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.5 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 1.161 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.95 -41.24 97.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.542 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.98 -40.3 60.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.49 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.547 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.22 -33.41 29.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.497 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.812 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.46 -46.43 48.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.525 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 1.161 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.804 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.365 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . . . -69.7 -43.92 79.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.635 -0.283 . . . . 0.0 110.549 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . . . -66.29 -39.75 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.52 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . . . -51.99 -40.69 61.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.515 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . . . -94.87 -1.2 53.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.484 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . . . -48.72 -59.96 3.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.542 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.54 92.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.522 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -63.1 -41.64 93.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.507 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . . . -56.95 -39.21 74.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.507 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . . . -81.36 -48.1 12.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.523 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.55 -39.15 88.4 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.552 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . . . -67.11 -45.77 85.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.543 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -64.57 -42.29 95.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.48 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -68.58 -49.95 55.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.509 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.95 -67.95 1.45 Allowed Glycine 0 CA--C 1.52 0.379 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . . . -48.8 -54.48 14.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.611 -0.294 . . . . 0.0 110.501 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.18 -47.2 50.27 Favored Glycine 0 CA--C 1.52 0.357 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . . . -55.81 -14.37 2.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.6 -0.3 . . . . 0.0 110.453 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . . . -64.53 -42.67 95.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.501 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -57.66 -41.84 82.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.504 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.44 -41.69 79.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.519 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . . . -64.14 -49.29 82.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.51 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.37 -44.28 90.83 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.494 -1.042 . . . . 0.0 110.494 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.71 -54.28 19.62 Favored Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . . . -55.99 -39.76 72.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.598 -0.301 . . . . 0.0 110.518 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . . . -74.65 -45.0 46.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.463 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . . . -75.05 -30.82 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.426 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.95 -23.76 73.78 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.75 -33.17 23.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.576 -0.312 . . . . 0.0 110.494 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . . . -55.42 -30.86 61.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.485 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . . . -54.9 -35.32 33.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.496 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -65.3 -42.41 93.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.505 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . . . -62.3 -48.13 81.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.463 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.14 87.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.522 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -55.91 -43.57 75.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.526 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.91 -46.34 82.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.501 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.42 -60.03 6.64 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.484 -1.047 . . . . 0.0 110.484 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . . . -60.31 -39.49 87.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.565 -0.317 . . . . 0.0 110.429 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -58.47 -44.39 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.556 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . . . -68.71 -41.7 78.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.545 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . . . -59.87 -50.03 75.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.536 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . . . -63.88 -41.26 97.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.586 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -75.0 -40.26 60.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.495 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . . . -82.25 -33.4 29.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.514 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -73.48 -46.4 48.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.522 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.601 -0.727 . . . . 0.0 . -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 109.999 -1.241 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 77.9 t -69.66 -43.97 79.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.159 0.504 . . . . 0.0 110.511 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.585 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.29 -39.73 84.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.536 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -52.02 -40.65 61.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.511 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.3 p -94.91 -1.23 53.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.455 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.585 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.4 t -48.69 -59.96 3.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.55 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.57 92.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.516 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.814 ' CG1' HG13 ' A' ' 12' ' ' ILE . 66.8 t -63.02 -41.7 93.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.513 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.94 -39.21 74.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.511 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.38 -48.02 12.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.562 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.64 -39.1 88.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.494 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 1.002 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.18 -45.78 85.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.467 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.4 m -64.52 -42.34 95.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.467 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 1.011 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.1 m-20 -68.57 -50.02 54.91 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.481 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.9 -67.92 1.46 Allowed Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 1.002 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.8 -54.5 14.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.183 0.516 . . . . 0.0 110.528 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.15 -47.22 50.07 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 1.011 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.78 -14.41 2.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.169 0.509 . . . . 0.0 110.478 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.528 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.55 -42.59 95.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.511 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.73 -41.79 82.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.457 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.428 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.52 -41.63 79.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.504 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.584 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.26 -49.26 81.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.442 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.527 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.37 -44.19 91.03 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.678 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.8 -54.29 19.21 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.428 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.97 -39.8 72.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.146 0.498 . . . . 0.0 110.479 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.594 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 96.7 mt -74.62 -45.02 46.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.479 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.678 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.03 -30.8 23.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.477 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.662 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.01 -23.69 73.86 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.78 -33.15 23.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.132 0.491 . . . . 0.0 110.478 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.4 mt -55.45 -30.79 61.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.506 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.5 t -54.97 -35.27 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.504 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.34 -42.42 93.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.476 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.26 -48.19 81.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.489 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.95 -41.19 86.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.531 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.061 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.8 t -55.93 -43.52 75.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.546 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.97 -46.24 82.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.509 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.57 -59.98 6.76 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.0 mt -60.23 -39.52 86.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.117 0.484 . . . . 0.0 110.474 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 1.061 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.55 -44.32 89.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.504 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.505 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.77 -41.74 78.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.529 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.822 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.8 m -59.8 -49.99 75.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.557 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 1.16 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.94 -41.3 97.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.55 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.96 -40.27 60.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.499 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.27 -33.39 29.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.472 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.822 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.47 -46.45 48.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.519 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 1.16 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.819 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.448 0 N-CA-C 109.98 -1.248 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.65 -43.95 79.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.132 0.491 . . . . 0.0 110.526 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.596 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.32 -39.74 84.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.469 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -51.97 -40.7 61.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.509 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.3 p -94.84 -1.27 53.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.496 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.596 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.7 -59.97 3.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.509 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.58 92.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.486 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.817 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.5 t -63.07 -41.7 93.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.443 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.98 -39.13 74.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.509 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.1 m -81.38 -48.07 12.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.532 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.62 -39.06 88.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.561 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 1.013 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.12 -45.86 85.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.525 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.6 m -64.48 -42.3 95.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.521 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.992 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.0 m-20 -68.57 -49.98 55.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.503 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.94 -67.89 1.46 Allowed Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.549 -1.02 . . . . 0.0 110.549 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 1.013 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.83 -54.55 14.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.169 0.509 . . . . 0.0 110.493 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.12 -47.19 49.99 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.514 -1.035 . . . . 0.0 110.514 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.992 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.88 -14.34 2.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.159 0.504 . . . . 0.0 110.461 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.531 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.57 -42.62 95.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.469 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.72 -41.75 82.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.487 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.422 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.51 -41.66 79.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.526 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.601 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.18 -49.29 81.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.443 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.53 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.45 -44.13 90.94 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.693 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.82 -54.28 19.19 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.503 -1.039 . . . . 0.0 110.503 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.422 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.96 -39.77 72.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.113 0.482 . . . . 0.0 110.485 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.601 HD12 HG22 ' A' ' 22' ' ' ILE . 96.6 mt -74.63 -45.07 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.444 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.693 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.0 -30.79 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.482 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.654 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.03 -23.69 73.79 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.73 -33.25 23.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.182 0.515 . . . . 0.0 110.495 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.2 mt -55.38 -30.89 61.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.47 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.9 t -54.91 -35.28 33.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.502 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.32 -42.45 93.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.516 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.26 -48.17 81.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.461 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.04 -41.12 87.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.481 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.033 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.4 t -55.93 -43.62 75.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.518 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.84 -46.3 82.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.523 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.54 -60.0 6.73 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.29 -39.47 87.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.133 0.492 . . . . 0.0 110.457 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 1.033 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.53 -44.3 88.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.554 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.79 -41.67 78.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.535 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.809 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.88 -50.01 75.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.571 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 1.177 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.9 -41.29 97.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.557 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.97 -40.29 60.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.481 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.8 tpt180 -82.21 -33.39 29.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.523 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.809 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.5 -46.46 47.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.481 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 1.177 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.814 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.399 0 N-CA-C 110.016 -1.234 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.6 t -69.68 -43.98 79.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.145 0.498 . . . . 0.0 110.522 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.594 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.27 -39.74 85.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.511 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -52.02 -40.64 61.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.524 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.8 p -94.95 -1.16 53.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.444 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.594 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.4 t -48.72 -59.96 3.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.556 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.55 92.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.521 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.818 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.6 t -63.1 -41.65 93.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.482 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.02 -39.19 74.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.486 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.32 -48.1 12.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.566 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.58 -39.1 88.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.522 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 1.02 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.6 mm -67.13 -45.8 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.533 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.8 m -64.5 -42.35 95.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.48 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 1.007 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.61 -49.96 55.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.503 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.9 -67.93 1.46 Allowed Glycine 0 CA--C 1.52 0.39 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 1.02 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.78 -54.5 14.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.127 0.489 . . . . 0.0 110.506 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.19 -47.17 50.46 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 1.007 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.85 -14.35 2.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.145 0.498 . . . . 0.0 110.441 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.537 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.57 -42.64 95.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.461 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.72 -41.78 82.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.489 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.427 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.5 -41.67 79.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.516 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.604 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.21 -49.26 81.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.473 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.579 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.39 -44.23 90.89 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.625 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.73 -54.3 19.42 Favored Glycine 0 CA--C 1.52 0.381 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.427 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.99 -39.73 72.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.156 0.503 . . . . 0.0 110.518 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.604 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.69 -45.05 45.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.415 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.6 t -74.96 -30.85 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.46 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.625 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.01 -23.75 73.68 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.69 -33.17 23.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.182 0.515 . . . . 0.0 110.521 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.3 mt -55.45 -30.85 61.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.453 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.711 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.8 t -54.96 -35.22 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.49 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.35 -42.4 93.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.496 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.32 -48.17 81.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.444 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.07 -41.08 87.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.494 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.033 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.7 t -55.91 -43.58 75.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.54 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.9 -46.3 82.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.511 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.51 -60.01 6.7 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.23 -39.55 87.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.165 0.507 . . . . 0.0 110.488 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 1.033 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.49 -44.38 88.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.563 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.522 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.68 -41.73 78.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.502 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.818 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.86 -50.01 75.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.536 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 1.172 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.93 -41.26 97.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.568 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.98 -40.26 60.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.496 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.8 tpt180 -82.24 -33.39 29.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.494 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.818 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.49 -46.44 48.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.518 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 1.172 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.813 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.418 0 N-CA-C 110.011 -1.236 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.7 -43.99 79.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.119 0.485 . . . . 0.0 110.509 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.605 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.26 -39.73 85.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.526 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.04 -40.62 61.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.506 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.3 p -94.92 -1.22 53.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.445 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.605 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.73 -59.92 3.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.579 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.55 92.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.548 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.819 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.6 t -63.04 -41.73 93.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.512 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.94 -39.19 74.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.525 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.6 m -81.33 -48.06 12.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.579 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.62 -39.14 88.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.486 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 1.019 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.06 -45.85 85.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.532 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.6 m -64.51 -42.3 95.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.486 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 1.002 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.58 -49.97 55.28 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.532 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.92 -67.87 1.46 Allowed Glycine 0 CA--C 1.52 0.403 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 1.019 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.9 -54.47 15.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.118 0.485 . . . . 0.0 110.465 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.18 -47.14 50.47 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 1.002 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.9 -14.36 2.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.095 0.474 . . . . 0.0 110.42 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.527 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.53 -42.6 95.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.534 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.73 -41.8 82.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.433 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.422 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.5 -41.67 79.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.51 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.586 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.19 -49.24 82.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.478 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.524 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.44 -44.21 90.8 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.66 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.77 -54.25 19.55 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.422 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 92.0 t80 -56.04 -39.7 72.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.142 0.496 . . . . 0.0 110.508 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.59 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 96.6 mt -74.63 -45.04 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.485 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.66 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.09 -30.74 23.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.476 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.652 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.01 -23.75 73.69 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.72 -33.25 23.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.173 0.511 . . . . 0.0 110.458 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.4 mt -55.31 -30.9 61.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.497 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.715 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.5 t -54.97 -35.23 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.469 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.38 -42.42 93.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.459 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.34 -48.11 81.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.442 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.19 87.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.457 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.045 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.8 t -55.92 -43.57 75.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.467 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.95 -46.23 82.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.485 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.55 -60.0 6.73 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.32 -39.44 87.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.128 0.49 . . . . 0.0 110.471 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 1.045 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.53 -44.33 88.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.54 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.539 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.6 t80 -68.74 -41.75 78.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.51 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.821 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.81 -50.02 75.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.524 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 1.171 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.95 -41.29 97.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.523 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.92 -40.31 60.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.501 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.22 -33.37 29.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.506 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.821 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.49 -46.44 48.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.522 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 1.171 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.785 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.451 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.2 t -69.68 -43.97 79.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.139 0.495 . . . . 0.0 110.493 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.605 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.3 -39.74 84.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.509 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -52.01 -40.66 61.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.507 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.6 p -94.92 -1.19 53.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.433 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.605 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.72 -59.95 3.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.523 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.59 92.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.511 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.824 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.4 t -63.08 -41.64 93.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.507 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.98 -39.2 74.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.495 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.37 -48.01 12.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.572 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.6 -39.1 88.23 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.548 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 1.023 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.13 -45.84 85.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.503 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.3 m -64.47 -42.31 95.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.488 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.991 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.5 m-20 -68.64 -49.93 55.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.47 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.97 -67.85 1.46 Allowed Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 1.023 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.83 -54.52 14.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.165 0.507 . . . . 0.0 110.525 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.13 -47.22 49.98 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.991 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.86 -14.34 2.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.178 0.513 . . . . 0.0 110.479 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.53 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.51 -42.63 95.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.534 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.69 -41.84 82.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.477 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.422 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.47 -41.71 79.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.501 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.582 HG22 HD12 ' A' ' 26' ' ' ILE . 96.6 mt -64.14 -49.26 82.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.501 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.567 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.35 -44.28 90.88 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.491 -1.043 . . . . 0.0 110.491 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.655 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.76 -54.26 19.5 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.422 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.04 -39.73 72.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.147 0.498 . . . . 0.0 110.508 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.582 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.63 -45.08 45.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.442 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.6 t -74.99 -30.78 24.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.506 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.655 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.02 -23.71 73.78 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.77 -33.16 23.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.13 0.49 . . . . 0.0 110.461 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.5 mt -55.41 -30.84 61.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.487 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.729 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.4 t -54.99 -35.28 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.469 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.32 -42.41 93.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.485 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.32 -48.13 81.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.47 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.15 87.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.496 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.06 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.7 t -55.95 -43.55 75.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.5 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.94 -46.28 82.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.482 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.46 -60.11 6.59 Favored Glycine 0 CA--C 1.52 0.393 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.26 -39.47 86.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.101 0.476 . . . . 0.0 110.465 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 1.06 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.53 -44.36 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.495 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.54 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.72 -41.72 78.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.557 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.811 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.8 m -59.88 -49.97 75.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.545 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 1.176 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.95 -41.3 97.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.496 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.99 -40.27 60.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.522 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.23 -33.4 29.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.498 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.811 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.47 -46.42 48.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.518 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 1.176 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.825 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.527 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.69 -43.92 79.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.148 0.499 . . . . 0.0 110.543 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.591 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.27 -39.74 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.533 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.03 -40.64 61.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.509 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.3 p -94.92 -1.16 53.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.453 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.591 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.79 -59.94 3.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.503 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.61 92.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.516 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.822 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.2 t -63.07 -41.64 93.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.522 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.03 -39.14 74.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.509 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.6 m -81.39 -48.04 12.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.56 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.59 -39.14 88.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.522 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 1.01 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.12 -45.83 85.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.513 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.7 m -64.47 -42.34 95.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.505 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 1.018 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.54 -50.01 55.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.533 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.88 -67.89 1.46 Allowed Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.563 -1.015 . . . . 0.0 110.563 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 1.01 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.87 -54.47 15.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.171 0.51 . . . . 0.0 110.541 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.14 -47.2 50.06 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.504 -1.039 . . . . 0.0 110.504 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 1.018 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.84 -14.39 2.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.108 0.48 . . . . 0.0 110.44 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.532 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.52 -42.61 95.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.536 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.77 -41.77 82.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.444 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.47 -41.71 79.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.464 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.59 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.2 -49.27 81.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.466 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.524 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.37 -44.18 91.04 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.682 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.85 -54.23 19.36 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.426 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.03 -39.73 72.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.164 0.506 . . . . 0.0 110.483 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.59 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.67 -45.0 45.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.481 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.682 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.08 -30.78 23.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.444 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.659 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.0 -23.72 73.8 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.7 -33.24 23.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.135 0.493 . . . . 0.0 110.491 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.6 mt -55.39 -30.85 61.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.485 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.716 ' O ' HG23 ' A' ' 35' ' ' VAL . 67.0 t -55.01 -35.19 33.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.504 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.37 -42.43 93.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.467 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.29 -48.16 81.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.494 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.96 -41.18 86.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.52 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.062 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.6 t -55.94 -43.53 75.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.509 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.97 -46.26 82.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.46 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.5 -60.06 6.65 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.21 -39.49 86.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.138 0.495 . . . . 0.0 110.506 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 1.062 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.53 -44.31 88.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.54 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.516 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.79 -41.73 78.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.495 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.818 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.86 -49.98 75.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.555 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 1.165 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.87 -41.39 97.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.509 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.4 mt -74.94 -40.27 60.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.488 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.25 -33.38 29.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.496 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.818 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.45 -46.48 48.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.542 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 1.165 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.797 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.7 -43.96 79.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.161 0.505 . . . . 0.0 110.507 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.583 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.31 -39.74 84.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.5 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -52.03 -40.66 61.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.496 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.9 p -94.88 -1.2 53.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.44 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.583 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.73 -59.93 3.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.542 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.56 92.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.533 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.815 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.6 t -63.06 -41.68 93.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.504 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.94 -39.25 74.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.517 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.1 m -81.3 -48.1 12.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.562 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.58 -39.09 88.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.555 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.999 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.17 -45.77 85.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.492 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.3 m -64.53 -42.35 95.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.475 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.996 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.2 m-20 -68.54 -49.97 55.5 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.537 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.94 -67.85 1.46 Allowed Glycine 0 CA--C 1.52 0.381 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.999 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.83 -54.53 14.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.16 0.505 . . . . 0.0 110.527 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.13 -47.19 50.03 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.996 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.89 -14.37 2.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.142 0.496 . . . . 0.0 110.449 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.532 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.49 -42.65 95.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.528 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.7 -41.8 82.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.484 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.427 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.48 -41.67 79.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.492 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.605 HG22 HD12 ' A' ' 26' ' ' ILE . 96.6 mt -64.26 -49.25 81.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.448 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.527 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.4 -44.22 90.89 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.665 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.75 -54.28 19.45 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.427 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.01 -39.8 72.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.116 0.484 . . . . 0.0 110.456 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.605 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.6 -45.02 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.511 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.665 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.07 -30.75 23.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.448 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.663 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.03 -23.72 73.72 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.71 -33.2 23.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.163 0.506 . . . . 0.0 110.524 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.5 mt -55.39 -30.86 61.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.5 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.718 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.4 t -54.95 -35.29 33.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.491 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.29 -42.43 93.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.48 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.35 -48.08 81.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.48 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.19 87.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.523 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.058 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.8 t -55.9 -43.58 75.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.5 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.91 -46.27 82.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.489 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.55 -60.03 6.7 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.25 -39.47 86.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.129 0.49 . . . . 0.0 110.482 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 1.058 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.51 -44.38 89.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.554 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.5 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.73 -41.71 78.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.52 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.816 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.87 -50.0 75.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.563 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 1.146 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.85 -41.35 97.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.534 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.96 -40.25 60.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.521 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.28 -33.37 29.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.519 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.816 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.51 -46.42 48.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.513 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 1.146 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.823 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.46 0 N-CA-C 109.974 -1.251 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.8 t -69.66 -43.97 79.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.119 0.485 . . . . 0.0 110.526 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.59 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.26 -39.74 85.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.525 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -51.99 -40.71 61.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.493 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.4 p -94.88 -1.25 53.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.439 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.59 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.4 t -48.71 -59.95 3.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.511 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.04 -41.55 92.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.502 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.818 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.7 t -63.04 -41.7 93.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.518 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.96 -39.22 74.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.499 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.6 m -81.39 -47.99 12.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.562 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.61 -39.11 88.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.556 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 1.016 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.6 mm -67.11 -45.85 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.518 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.7 m -64.49 -42.31 95.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.513 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.996 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.4 m-20 -68.55 -50.01 55.14 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.515 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.89 -67.92 1.46 Allowed Glycine 0 CA--C 1.52 0.373 0 N-CA-C 110.544 -1.023 . . . . 0.0 110.544 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 1.016 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.7 tp60 -48.86 -54.51 15.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.117 0.484 . . . . 0.0 110.484 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.12 -47.23 49.87 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.501 -1.04 . . . . 0.0 110.501 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.996 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.7 m-20 -55.8 -14.37 2.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.147 0.498 . . . . 0.0 110.504 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.532 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.58 -42.64 95.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.467 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.68 -41.8 82.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.462 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.53 -41.61 79.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.498 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.601 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.25 -49.24 82.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.467 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.58 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.38 -44.24 90.92 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.647 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.77 -54.3 19.28 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.424 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.99 -39.75 72.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.153 0.501 . . . . 0.0 110.484 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.601 HD12 HG22 ' A' ' 22' ' ' ILE . 96.6 mt -74.61 -45.11 45.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.458 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.9 t -74.95 -30.89 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.47 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.647 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.9 -23.76 73.87 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.73 -33.19 23.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.19 0.519 . . . . 0.0 110.496 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.5 mt -55.36 -30.86 61.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.521 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.72 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.6 t -54.98 -35.26 33.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.494 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.31 -42.47 93.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.459 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.26 -48.18 81.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.459 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.04 -41.1 87.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.523 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.028 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.8 t -55.9 -43.59 75.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.541 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.29 82.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.498 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.47 -60.02 6.67 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.494 -1.042 . . . . 0.0 110.494 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.28 -39.53 87.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.076 0.465 . . . . 0.0 110.41 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 1.028 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.3 mm -58.48 -44.37 88.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.506 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.508 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.71 -41.75 78.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.539 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.816 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.8 -50.04 75.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.552 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 1.154 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.94 -41.24 97.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.565 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.4 mt -74.98 -40.24 60.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.541 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.25 -33.4 29.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.523 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.816 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.48 -46.46 48.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.504 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 1.154 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.806 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.42 0 N-CA-C 110.004 -1.238 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.6 t -69.66 -43.97 79.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.157 0.503 . . . . 0.0 110.525 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.597 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.23 -39.75 85.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.541 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -52.03 -40.68 61.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.503 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.7 p -94.83 -1.22 53.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.503 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.597 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.7 -59.93 3.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.552 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.52 92.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.518 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.812 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.8 t -63.09 -41.65 93.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.47 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.03 -39.14 74.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.499 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.2 m -81.41 -48.07 12.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.509 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.54 -39.19 88.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.547 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 1.018 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.08 -45.82 85.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.52 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.8 m -64.49 -42.33 95.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.51 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.992 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.2 m-20 -68.58 -49.98 55.26 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.499 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.9 -67.93 1.46 Allowed Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.531 -1.027 . . . . 0.0 110.531 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 1.018 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.86 -54.47 15.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.169 0.509 . . . . 0.0 110.516 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.18 -47.2 50.3 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.486 -1.045 . . . . 0.0 110.486 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.992 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.83 -14.36 2.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.152 0.501 . . . . 0.0 110.455 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.531 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.55 -42.6 95.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.521 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.75 -41.78 82.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.471 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.416 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.5 -41.7 79.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.508 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.591 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.16 -49.25 82.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.512 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.577 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.41 -44.22 90.85 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.618 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.79 -54.24 19.48 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.493 -1.043 . . . . 0.0 110.493 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.416 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.03 -39.76 72.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.101 0.477 . . . . 0.0 110.444 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.596 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 96.7 mt -74.61 -45.09 46.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.463 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.6 t -74.99 -30.82 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.439 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.618 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.98 -23.7 73.9 Favored Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.78 -33.15 23.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.194 0.521 . . . . 0.0 110.496 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.5 mt -55.45 -30.81 61.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.473 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.724 ' O ' HG23 ' A' ' 35' ' ' VAL . 66.7 t -55.0 -35.21 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.463 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.41 -42.4 93.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.463 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.31 -48.16 81.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.451 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.01 -41.13 86.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.51 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.023 ' O ' HG12 ' A' ' 39' ' ' ILE . 67.0 t -55.93 -43.63 75.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.484 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.86 -46.24 82.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.562 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.56 -60.02 6.72 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.421 -1.071 . . . . 0.0 110.421 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.0 mt -60.27 -39.52 87.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.098 0.475 . . . . 0.0 110.408 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 1.023 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.3 mm -58.48 -44.35 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.535 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.78 -41.68 78.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.506 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.823 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.8 m -59.83 -50.03 75.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.57 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 1.135 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.89 -41.28 97.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.598 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 91.9 mt -75.01 -40.24 60.73 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.531 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.25 -33.35 29.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.542 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.823 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.51 -46.45 47.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.55 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 1.135 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.79 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.447 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.2 t -69.65 -43.95 79.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.129 0.49 . . . . 0.0 110.535 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.595 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.26 -39.75 85.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.538 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -51.97 -40.75 61.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.472 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.4 p -94.88 -1.17 53.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.46 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.595 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.75 -59.97 3.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.519 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.57 92.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.522 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.813 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.4 t -63.05 -41.66 93.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.504 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.98 -39.19 74.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.515 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.39 -47.98 12.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.577 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.65 -39.11 88.08 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.518 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 1.023 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.15 -45.79 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.483 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.8 m -64.51 -42.3 95.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.517 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.983 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.2 m-20 -68.62 -49.92 55.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.525 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.96 -67.85 1.46 Allowed Glycine 0 CA--C 1.52 0.381 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 1.023 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.9 -54.44 15.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.142 0.496 . . . . 0.0 110.493 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.21 -47.18 50.53 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.983 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.86 -14.32 2.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.118 0.485 . . . . 0.0 110.458 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.525 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.6 -42.59 95.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.511 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.68 -41.85 82.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.481 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.413 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.49 -41.63 79.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.505 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.595 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.22 -49.22 82.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.476 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.564 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.43 -44.27 90.69 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.654 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.68 -54.3 19.56 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 110.511 -1.035 . . . . 0.0 110.511 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.413 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.02 -39.74 72.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.149 0.499 . . . . 0.0 110.47 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.596 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 96.7 mt -74.63 -45.08 45.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.457 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.4 t -74.98 -30.78 24.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.486 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.654 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.02 -23.7 73.78 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.8 -33.16 23.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.178 0.513 . . . . 0.0 110.468 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.6 mt -55.44 -30.83 61.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.491 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.729 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.7 t -54.98 -35.22 33.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.488 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.35 -42.37 93.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.519 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.3 -48.18 81.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.473 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.07 -41.08 87.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.507 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.038 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.9 t -55.93 -43.59 75.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.515 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.23 82.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.517 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.6 -59.99 6.76 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.27 -39.48 86.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.13 0.491 . . . . 0.0 110.493 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 1.038 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.47 -44.36 88.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.565 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.535 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.77 -41.69 78.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.496 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.81 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.87 -49.95 75.7 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.549 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 1.137 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.1 ttp -63.98 -41.26 97.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.551 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.95 -40.25 60.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.544 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.8 tpt180 -82.28 -33.38 29.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.507 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.81 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.47 -46.4 48.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.574 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 1.137 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.806 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.513 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.3 t -69.66 -43.96 79.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.129 0.49 . . . . 0.0 110.549 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.584 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.27 -39.73 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.498 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.0 -40.67 61.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.477 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.5 p -94.93 -1.2 53.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.434 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.584 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.76 -59.94 3.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.525 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.55 92.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.531 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.823 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.7 t -63.04 -41.7 93.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.503 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.98 -39.19 74.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.505 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.6 m -81.35 -48.02 12.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.563 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.64 -39.08 88.11 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.545 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 1.019 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.13 -45.85 85.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.482 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.5 m -64.51 -42.24 95.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.498 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 1.019 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.2 m-20 -68.66 -49.98 54.79 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.471 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.9 -67.93 1.46 Allowed Glycine 0 CA--C 1.52 0.374 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 1.019 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.7 tp60 -48.79 -54.54 14.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.178 0.514 . . . . 0.0 110.494 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.08 -47.26 49.56 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 1.019 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.77 -14.39 2.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.115 0.483 . . . . 0.0 110.466 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.536 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.58 -42.59 95.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.479 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.76 -41.76 82.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.498 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.423 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.48 -41.69 79.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.47 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.598 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.18 -49.27 82.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.483 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.565 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.43 -44.21 90.81 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 110.469 -1.053 . . . . 0.0 110.469 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.642 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.78 -54.23 19.61 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.423 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.03 -39.78 72.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.106 0.479 . . . . 0.0 110.471 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.598 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.61 -45.11 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.434 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.7 t -74.96 -30.82 24.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.456 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.642 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.99 -23.75 73.72 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.72 -33.2 23.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.18 0.514 . . . . 0.0 110.487 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.6 mt -55.39 -30.86 61.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.469 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.715 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.7 t -54.96 -35.27 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.46 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.35 -42.45 93.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.452 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.3 -48.14 81.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.47 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.01 -41.16 87.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.494 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.061 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.7 t -55.92 -43.61 75.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.518 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.85 -46.32 82.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.539 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.46 -60.06 6.63 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.28 -39.47 86.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.111 0.482 . . . . 0.0 110.427 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 1.061 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.53 -44.36 89.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.53 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.523 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.73 -41.65 78.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.56 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.813 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.89 -49.97 75.63 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.574 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 1.153 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.1 ttp -63.95 -41.26 97.64 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.585 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.96 -40.29 60.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.53 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.19 -33.41 29.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.559 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.813 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.49 -46.43 48.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.544 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 1.153 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.804 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.502 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.66 -43.93 79.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.157 0.504 . . . . 0.0 110.557 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.598 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.3 -39.72 84.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.509 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.07 -40.61 61.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.489 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.1 p -94.96 -1.15 53.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.44 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.598 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.76 -59.93 3.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.52 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.53 92.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.534 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.816 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.9 t -63.12 -41.67 93.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.463 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.98 -39.17 74.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.503 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.6 m -81.4 -48.02 12.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.54 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.56 -39.13 88.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.58 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.996 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.17 -45.81 85.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.471 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.6 m -64.54 -42.25 95.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.531 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 1.001 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.62 -49.94 55.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.525 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.94 -67.92 1.45 Allowed Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.996 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.85 -54.5 15.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.122 0.487 . . . . 0.0 110.461 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.09 -47.3 49.52 Favored Glycine 0 CA--C 1.52 0.356 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 1.001 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.73 -14.4 2.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.098 0.475 . . . . 0.0 110.483 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.527 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.57 -42.59 95.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.488 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.75 -41.83 82.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.443 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.427 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.45 -41.67 79.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.496 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.605 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.21 -49.24 82.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.461 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.562 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.46 -44.17 90.83 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.634 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.81 -54.28 19.23 Favored Glycine 0 CA--C 1.521 0.447 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.427 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.0 -39.73 72.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.106 0.479 . . . . 0.0 110.516 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.605 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.65 -45.08 45.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.468 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.6 t -74.95 -30.81 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.495 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.634 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.07 -23.68 73.74 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.79 -33.16 23.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.162 0.506 . . . . 0.0 110.469 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.7 mt -55.38 -30.88 61.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.497 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.722 ' O ' HG23 ' A' ' 35' ' ' VAL . 66.3 t -55.0 -35.22 33.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.439 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.37 -42.47 93.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.444 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.27 -48.13 81.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.454 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.08 -41.11 87.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.446 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.031 ' O ' HG12 ' A' ' 39' ' ' ILE . 67.1 t -55.95 -43.56 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.514 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.93 -46.3 82.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.476 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.46 -60.01 6.67 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.499 -1.04 . . . . 0.0 110.499 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.3 -39.49 87.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.126 0.489 . . . . 0.0 110.463 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 1.031 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.51 -44.35 88.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.525 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.72 -41.78 78.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.525 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.82 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.8 -50.01 75.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.569 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 1.169 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.91 -41.36 97.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.484 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.4 mt -74.93 -40.26 60.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.514 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.26 -33.4 29.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.476 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.82 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.47 -46.41 48.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.531 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 1.169 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.808 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.63 -44.0 79.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.125 0.488 . . . . 0.0 110.513 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.584 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.26 -39.75 85.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.52 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -51.97 -40.69 61.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.495 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.9 p -94.89 -1.25 53.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.45 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.584 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.69 -59.93 3.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.576 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.58 92.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.516 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.82 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.5 t -63.05 -41.67 93.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.516 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.01 -39.16 74.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.516 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.3 m -81.34 -48.09 12.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.546 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.56 -39.16 88.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.513 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 1.012 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.6 mm -67.1 -45.84 85.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.517 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.9 m -64.51 -42.29 95.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.514 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 1.009 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.6 -49.95 55.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.475 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.96 -67.96 1.45 Allowed Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 1.012 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.77 -54.53 14.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.152 0.501 . . . . 0.0 110.511 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.14 -47.18 50.13 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 1.009 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.84 -14.4 2.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.122 0.487 . . . . 0.0 110.412 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.53 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.59 -42.55 95.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.521 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.73 -41.79 82.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.488 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.48 -41.7 79.73 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.447 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.601 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.22 -49.23 82.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.451 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.532 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.43 -44.2 90.84 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.695 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.82 -54.28 19.22 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.48 -1.048 . . . . 0.0 110.48 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.42 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.98 -39.78 72.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.174 0.511 . . . . 0.0 110.499 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.601 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.63 -45.02 46.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.455 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.695 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.02 -30.8 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.483 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.66 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.06 -23.65 73.85 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.82 -33.16 22.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.145 0.497 . . . . 0.0 110.472 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.5 mt -55.45 -30.78 61.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.494 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.727 ' O ' HG23 ' A' ' 35' ' ' VAL . 66.6 t -55.01 -35.26 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.463 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.34 -42.41 93.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.474 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.29 -48.18 81.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.46 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.11 86.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.506 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.066 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.9 t -55.97 -43.58 75.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.527 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.89 -46.28 82.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.492 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.52 -60.01 6.71 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.443 -1.063 . . . . 0.0 110.443 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.32 -39.41 86.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.108 0.48 . . . . 0.0 110.441 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 1.066 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.6 mm -58.6 -44.29 89.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.549 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.505 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.8 -41.7 78.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.52 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.814 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.82 -50.0 75.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.571 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 1.169 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.93 -41.31 97.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.535 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.7 mt -74.96 -40.28 60.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.536 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.18 -33.42 29.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.513 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.814 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.44 -46.48 48.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.549 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 1.169 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.795 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.424 0 N-CA-C 109.986 -1.246 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.7 -43.95 79.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.119 0.485 . . . . 0.0 110.516 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.602 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.26 -39.74 85.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.506 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.04 -40.66 61.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.489 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.3 p -94.87 -1.2 53.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.475 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.602 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.71 -59.95 3.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.548 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.58 92.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.529 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.82 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.6 t -63.09 -41.65 93.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.486 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.0 -39.15 74.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.489 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.3 m -81.43 -48.04 12.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.504 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.58 -39.13 88.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.535 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 1.021 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.16 -45.8 85.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.492 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.7 m -64.49 -42.32 95.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.5 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 1.008 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.6 m-20 -68.58 -49.96 55.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.495 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.97 -67.89 1.46 Allowed Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 1.021 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.84 -54.54 14.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.129 0.49 . . . . 0.0 110.458 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.09 -47.22 49.76 Favored Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 1.008 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.83 -14.39 2.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.15 0.5 . . . . 0.0 110.465 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.536 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.52 -42.62 95.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.491 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.73 -41.81 82.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.465 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.45 -41.63 79.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.533 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.597 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.24 -49.24 82.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.489 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.53 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.39 -44.18 90.98 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.69 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.79 -54.3 19.21 Favored Glycine 0 CA--C 1.52 0.367 0 N-CA-C 110.496 -1.041 . . . . 0.0 110.496 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.424 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.97 -39.75 72.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.138 0.494 . . . . 0.0 110.542 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.599 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 96.7 mt -74.64 -45.03 46.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.493 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.69 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.03 -30.78 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.477 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.637 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.02 -23.72 73.73 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.74 -33.17 23.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.204 0.526 . . . . 0.0 110.514 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.6 mt -55.45 -30.83 61.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.505 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.8 t -54.93 -35.27 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.487 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.36 -42.4 93.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.516 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.28 -48.13 81.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.492 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.06 -41.15 87.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.473 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.043 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.9 t -55.87 -43.65 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.482 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.84 -46.26 82.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.542 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.49 -60.07 6.63 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.19 -39.57 86.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.15 0.5 . . . . 0.0 110.46 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 1.043 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.43 -44.41 88.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.533 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.535 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.72 -41.73 78.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.503 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.817 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.8 -50.03 75.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.563 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 1.163 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.9 -41.33 97.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.515 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.3 mt -74.98 -40.21 60.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.523 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.8 tpt180 -82.29 -33.4 29.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.482 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.817 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.48 -46.4 48.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.53 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 1.163 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.785 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.417 0 N-CA-C 110.026 -1.229 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.9 t -69.71 -43.92 79.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.152 0.501 . . . . 0.0 110.524 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.609 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.3 -39.73 84.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.497 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -52.04 -40.65 61.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.477 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.4 p -94.86 -1.24 53.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.485 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.609 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.76 -59.92 3.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.531 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.63 92.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.515 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.813 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.6 t -63.01 -41.66 93.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.519 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.0 -39.15 74.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.516 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.42 -47.98 12.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.569 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.63 -39.11 88.14 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.549 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 1.022 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.1 -45.87 85.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.508 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.1 m -64.49 -42.28 95.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.481 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.984 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.4 m-20 -68.65 -49.96 55.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.455 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.93 -67.9 1.46 Allowed Glycine 0 CA--C 1.52 0.38 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 1.022 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.82 -54.54 14.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.126 0.488 . . . . 0.0 110.502 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.1 -47.27 49.66 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.984 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.76 -14.42 2.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.126 0.489 . . . . 0.0 110.485 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.527 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.58 -42.52 95.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.512 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.79 -41.79 82.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.455 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.422 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.46 -41.69 79.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.475 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.605 HG22 HD12 ' A' ' 26' ' ' ILE . 96.6 mt -64.23 -49.25 82.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.454 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.534 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.43 -44.13 90.99 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.669 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.82 -54.23 19.47 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.422 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.07 -39.69 72.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.103 0.478 . . . . 0.0 110.483 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.605 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.66 -45.05 45.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.483 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.669 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.0 -30.85 24.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.452 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.663 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.92 -23.74 73.89 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.78 -33.17 23.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.136 0.493 . . . . 0.0 110.486 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.7 mt -55.41 -30.82 61.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.528 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.728 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.4 t -54.98 -35.25 33.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.513 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.32 -42.4 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.481 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.35 -48.13 81.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.463 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.11 87.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.503 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.035 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.5 t -55.93 -43.63 75.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.478 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.91 -46.28 82.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.519 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.47 -60.02 6.67 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.29 -39.51 87.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.091 0.472 . . . . 0.0 110.424 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 1.035 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.53 -44.33 88.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.51 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.522 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.76 -41.66 78.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.534 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.817 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.8 m -59.88 -50.02 75.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.526 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 1.173 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.1 ttp -63.93 -41.31 97.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.52 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.4 mt -74.95 -40.23 60.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.516 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.28 -33.37 29.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.506 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.817 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.53 -46.42 47.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.506 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 1.173 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.806 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.465 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.3 t -69.69 -43.92 79.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.147 0.499 . . . . 0.0 110.523 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.604 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.31 -39.75 84.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.502 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -51.98 -40.73 61.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.467 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.0 p -94.83 -1.27 53.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.467 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.604 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.68 -59.94 3.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.572 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.58 92.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.497 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.81 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.8 t -63.03 -41.71 93.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.503 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.91 -39.22 74.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.52 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.0 m -81.38 -48.07 12.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.546 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.55 -39.14 88.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.54 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 1.023 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.12 -45.83 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.527 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.7 m -64.48 -42.3 95.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.491 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 1.017 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.5 m-20 -68.64 -49.96 55.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.498 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.92 -67.95 1.45 Allowed Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 1.023 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.79 -54.51 14.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.184 0.516 . . . . 0.0 110.504 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.15 -47.22 50.08 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 1.017 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.82 -14.39 2.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.103 0.477 . . . . 0.0 110.454 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.534 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.51 -42.63 95.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.473 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.73 -41.83 82.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.496 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.44 -41.7 79.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.497 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.6 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.2 -49.23 82.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.456 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.52 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.43 -44.19 90.87 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.683 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.78 -54.29 19.27 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.426 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 92.0 t80 -55.98 -39.76 72.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.154 0.502 . . . . 0.0 110.49 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.6 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.62 -45.07 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.49 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.683 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.03 -30.78 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.471 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.656 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.01 -23.75 73.7 Favored Glycine 0 CA--C 1.52 0.381 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.72 -33.17 23.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.197 0.522 . . . . 0.0 110.487 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.3 mt -55.45 -30.84 61.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.493 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.6 t -54.95 -35.25 33.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.455 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.35 -42.42 93.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.51 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.27 -48.18 81.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.486 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.99 -41.18 86.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.485 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.055 ' O ' HG12 ' A' ' 39' ' ' ILE . 67.0 t -55.94 -43.53 75.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.511 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.91 -46.33 82.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.455 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.51 -59.98 6.73 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.3 -39.48 87.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.078 0.466 . . . . 0.0 110.468 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 1.055 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.51 -44.37 88.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.528 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.536 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.7 -41.74 78.69 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.517 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.813 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.84 -50.0 75.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.564 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 1.174 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.9 -41.32 97.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.527 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.99 -40.23 60.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.491 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.536 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.29 -33.36 29.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.529 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.813 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.49 -46.47 47.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.515 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 1.174 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.803 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.515 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.5 t -69.69 -43.98 79.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.127 0.489 . . . . 0.0 110.509 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.59 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.27 -39.73 85.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.516 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.02 -40.67 61.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.486 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.3 p -94.89 -1.2 53.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.456 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.59 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.75 -59.93 3.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.505 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.04 -41.54 92.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.53 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.822 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.6 t -63.06 -41.67 93.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.529 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.97 -39.21 74.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.494 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.5 m -81.34 -48.08 12.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.575 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.57 -39.14 88.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.537 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 1.007 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.05 -45.9 85.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.499 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.3 m -64.48 -42.29 95.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.474 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 1.003 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.63 -49.94 55.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.485 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.97 -67.88 1.46 Allowed Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 1.007 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.79 -54.54 14.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.169 0.509 . . . . 0.0 110.528 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.14 -47.18 50.14 Favored Glycine 0 CA--C 1.52 0.393 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 1.003 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.79 -14.42 2.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.184 0.516 . . . . 0.0 110.495 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.529 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.59 -42.52 95.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.496 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.79 -41.8 82.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.434 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.47 -41.66 79.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.514 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.606 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.23 -49.25 82.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.458 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.534 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.42 -44.18 90.9 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.679 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.79 -54.3 19.17 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.426 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.97 -39.77 72.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.121 0.486 . . . . 0.0 110.487 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.606 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.65 -45.06 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.44 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.679 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.01 -30.79 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.446 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.651 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.0 -23.77 73.66 Favored Glycine 0 CA--C 1.52 0.372 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.66 -33.22 23.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.235 0.54 . . . . 0.0 110.545 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.3 mt -55.39 -30.87 61.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.475 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.726 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.6 t -54.97 -35.27 33.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.465 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.31 -42.45 93.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.458 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.3 -48.14 81.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.478 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.17 87.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.476 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.028 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.9 t -55.89 -43.57 75.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.559 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.29 82.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.523 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.45 -60.06 6.62 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.23 -39.52 86.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.112 0.482 . . . . 0.0 110.458 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 1.028 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.3 mm -58.47 -44.36 88.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.562 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.76 -41.7 78.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.54 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.821 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.9 m -59.86 -49.98 75.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.567 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 1.142 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.1 ttp -63.94 -41.27 97.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.556 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.96 -40.28 60.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.501 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.24 -33.35 29.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.518 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.821 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.52 -46.4 48.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.513 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 1.142 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.795 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.472 0 N-CA-C 109.986 -1.245 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.0 t -69.67 -43.93 79.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.132 0.491 . . . . 0.0 110.538 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.599 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.29 -39.74 85.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.542 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -52.03 -40.68 61.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.473 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.1 p -94.87 -1.22 53.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.48 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.599 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.73 -59.93 3.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.553 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.6 92.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.533 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.812 ' CG1' HG13 ' A' ' 12' ' ' ILE . 66.9 t -63.04 -41.7 93.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.507 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.98 -39.16 74.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.538 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.5 m -81.37 -48.02 12.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.56 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.65 -39.07 88.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.552 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 1.006 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.14 -45.85 85.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.507 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.1 m -64.49 -42.26 95.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.53 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 1.002 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.5 m-20 -68.63 -50.0 54.79 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.458 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.89 -67.94 1.45 Allowed Glycine 0 CA--C 1.52 0.381 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 1.006 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.85 -54.51 14.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.133 0.492 . . . . 0.0 110.474 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.08 -47.29 49.52 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 1.002 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.78 -14.36 2.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.091 0.472 . . . . 0.0 110.445 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.531 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.55 -42.65 95.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.522 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.68 -41.79 82.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.498 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.425 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.52 -41.63 79.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.499 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.601 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.21 -49.24 82.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.48 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.573 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.46 -44.21 90.74 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.466 -1.053 . . . . 0.0 110.466 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.636 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.74 -54.24 19.68 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.425 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 92.0 t80 -56.06 -39.73 72.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.183 0.516 . . . . 0.0 110.506 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.601 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.65 -45.05 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.461 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.4 t -74.98 -30.84 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.487 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.636 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.96 -23.75 73.79 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.76 -33.16 23.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.148 0.499 . . . . 0.0 110.49 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.5 mt -55.43 -30.85 61.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.504 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.729 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.7 t -54.92 -35.33 33.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.453 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.34 -42.42 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.495 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.26 -48.19 81.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.472 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.98 -41.15 86.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.518 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.048 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.4 t -55.91 -43.61 75.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.489 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.89 -46.29 82.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.517 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.51 -60.03 6.68 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.29 -39.43 86.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.119 0.485 . . . . 0.0 110.445 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 1.048 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.58 -44.37 89.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.514 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.72 -41.7 78.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.502 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.813 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.9 -49.99 75.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.516 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 1.17 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.92 -41.29 97.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.538 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.7 mt -74.97 -40.24 60.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.547 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.26 -33.38 29.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.517 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.813 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.5 -46.47 47.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.486 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 1.17 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.792 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.455 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.72 -43.97 79.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.134 0.492 . . . . 0.0 110.496 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.581 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.31 -39.73 84.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.467 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -52.02 -40.67 61.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.516 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.4 p -94.86 -1.24 53.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.465 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.581 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.4 t -48.66 -59.97 3.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.57 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.58 92.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.533 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.825 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.8 t -63.08 -41.68 93.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.501 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.94 -39.22 74.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.509 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.36 -48.05 12.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.543 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.58 -39.13 88.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.558 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 1.018 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.07 -45.85 85.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.539 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.7 m -64.52 -42.27 95.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.49 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 1.016 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.4 m-20 -68.64 -49.94 55.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.489 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.92 -67.91 1.46 Allowed Glycine 0 CA--C 1.52 0.376 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 1.018 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.83 -54.5 14.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.132 0.491 . . . . 0.0 110.506 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.13 -47.22 50.0 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 110.506 -1.037 . . . . 0.0 110.506 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 1.016 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.82 -14.37 2.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.117 0.484 . . . . 0.0 110.476 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.536 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.56 -42.58 95.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.526 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.73 -41.79 82.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.482 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.427 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.49 -41.69 79.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.475 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.598 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.19 -49.23 82.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.501 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.58 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.41 -44.25 90.81 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 110.48 -1.048 . . . . 0.0 110.48 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.656 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.73 -54.25 19.67 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.427 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.08 -39.74 72.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.149 0.499 . . . . 0.0 110.468 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.598 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.6 -45.07 46.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.483 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.6 t -75.0 -30.82 24.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.469 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.656 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.99 -23.73 73.79 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.72 -33.19 23.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.187 0.518 . . . . 0.0 110.506 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.6 mt -55.44 -30.84 61.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.481 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.729 ' O ' HG23 ' A' ' 35' ' ' VAL . 56.2 t -54.94 -35.26 33.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.468 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.34 -42.42 93.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.509 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.29 -48.15 81.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.468 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.16 87.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.467 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.064 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.8 t -55.88 -43.6 75.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.521 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.93 -46.3 82.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.457 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.48 -60.02 6.68 Favored Glycine 0 CA--C 1.52 0.403 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.3 -39.51 87.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.113 0.482 . . . . 0.0 110.428 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 1.064 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.46 -44.39 88.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.523 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.72 -41.73 78.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.504 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.819 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.88 -49.99 75.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.539 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 1.17 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.91 -41.29 97.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.529 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.95 -40.32 60.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.488 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.2 -33.38 29.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.547 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.819 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.48 -46.45 48.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.56 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 1.17 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.79 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.45 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.64 -43.94 79.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.114 0.483 . . . . 0.0 110.553 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.592 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.31 -39.73 84.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.491 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -52.03 -40.69 61.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.508 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.0 p -94.84 -1.19 53.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.479 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.592 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.74 -59.93 3.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.552 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.58 92.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.531 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.823 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.3 t -63.08 -41.67 93.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.516 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.97 -39.14 74.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.544 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.3 m -81.39 -48.02 12.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.559 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.6 -39.13 88.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.498 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 1.019 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.15 -45.83 85.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.473 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.6 m -64.49 -42.28 95.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.499 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 1.007 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.1 m-20 -68.64 -49.99 54.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.469 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.91 -67.93 1.45 Allowed Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 1.019 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.79 -54.52 14.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.167 0.508 . . . . 0.0 110.498 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.12 -47.26 49.83 Favored Glycine 0 CA--C 1.52 0.379 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 1.007 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.81 -14.37 2.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.162 0.506 . . . . 0.0 110.455 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.529 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.57 -42.57 95.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.491 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.8 -41.72 82.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.487 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.52 -41.63 79.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.505 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.606 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.27 -49.24 81.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.466 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.576 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.37 -44.22 90.96 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.631 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.8 -54.2 19.67 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.418 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.07 -39.76 72.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.103 0.478 . . . . 0.0 110.449 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.606 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.61 -45.06 46.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.488 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.6 t -74.96 -30.84 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.485 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.631 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.02 -23.68 73.84 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.71 -33.24 23.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.178 0.513 . . . . 0.0 110.504 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.4 mt -55.39 -30.81 61.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.504 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.729 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.6 t -54.99 -35.26 33.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.458 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.34 -42.45 93.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.462 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.29 -48.14 81.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.452 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.15 87.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.505 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.06 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.5 t -55.88 -43.64 75.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.52 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.9 -46.28 82.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.504 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.5 -60.03 6.68 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.21 -39.51 86.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.14 0.495 . . . . 0.0 110.476 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 1.06 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.52 -44.32 88.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.552 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.545 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.78 -41.65 78.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.538 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.823 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.8 m -59.91 -49.99 75.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.5 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 1.159 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.1 ttp -63.93 -41.28 97.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.531 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.98 -40.31 60.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.47 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.2 -33.39 29.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.512 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.823 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.46 -46.47 48.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.524 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 1.159 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.805 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.446 0 N-CA-C 110.006 -1.237 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.5 t -69.69 -43.94 79.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.147 0.498 . . . . 0.0 110.54 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.598 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.3 -39.74 85.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.482 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -51.96 -40.73 61.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.476 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.1 p -94.92 -1.16 53.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.438 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.598 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.72 -59.94 3.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.538 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.54 92.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.537 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.82 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.6 t -63.1 -41.7 93.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.451 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.99 -39.16 74.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.49 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.37 -48.01 12.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.584 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.65 -39.09 88.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.513 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 1.023 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.14 -45.8 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.485 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.4 m -64.53 -42.3 95.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.502 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 1.012 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.55 -49.98 55.34 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.509 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.95 -67.87 1.46 Allowed Glycine 0 CA--C 1.52 0.39 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 1.023 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.84 -54.5 14.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.146 0.498 . . . . 0.0 110.487 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.14 -47.21 50.02 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 1.012 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.87 -14.33 2.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.179 0.514 . . . . 0.0 110.457 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.526 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.62 -42.59 95.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.479 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.68 -41.76 82.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.525 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.415 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.52 -41.63 79.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.521 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.599 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.25 -49.26 81.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.469 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.53 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.37 -44.23 90.93 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.676 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.77 -54.3 19.3 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 -179.922 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.415 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.01 -39.74 72.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.161 0.505 . . . . 0.0 110.501 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.599 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.64 -45.06 45.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.459 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.676 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.01 -30.78 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.468 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.663 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.05 -23.75 73.6 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.432 -1.067 . . . . 0.0 110.432 -179.92 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.68 -33.22 23.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.22 0.533 . . . . 0.0 110.51 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.3 mt -55.38 -30.86 61.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.472 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.4 t -54.96 -35.29 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.467 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.31 -42.4 93.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.489 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.38 -48.13 81.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.457 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.0 -41.16 86.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.5 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.044 ' O ' HG12 ' A' ' 39' ' ' ILE . 67.1 t -55.89 -43.61 75.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.515 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.93 -46.25 82.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.512 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.53 -60.0 6.72 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.27 -39.5 87.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.153 0.501 . . . . 0.0 110.464 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 1.044 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.56 -44.29 88.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.519 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.545 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.6 t80 -68.8 -41.7 78.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.515 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.806 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.84 -49.99 75.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.548 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 1.161 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -64.0 -41.22 97.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.544 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.99 -40.29 60.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.471 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.22 -33.41 29.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.488 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.806 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.48 -46.41 48.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.52 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 1.161 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.787 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.474 0 N-CA-C 110.025 -1.23 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.5 t -69.7 -43.94 79.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.154 0.502 . . . . 0.0 110.514 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.586 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.34 -39.73 84.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.468 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -51.99 -40.73 61.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.495 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.4 p -94.82 -1.24 53.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.478 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.586 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.73 -59.94 3.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.507 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.59 92.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.527 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.814 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.3 t -63.02 -41.69 93.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.529 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.93 -39.23 74.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.495 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.36 -48.08 12.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.557 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.58 -39.1 88.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.522 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 1.015 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.4 mm -67.14 -45.86 85.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.481 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.5 m -64.49 -42.27 95.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.495 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 1.003 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.2 m-20 -68.61 -49.96 55.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.522 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.94 -67.92 1.45 Allowed Glycine 0 CA--C 1.52 0.37 0 N-CA-C 110.529 -1.028 . . . . 0.0 110.529 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 1.015 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.78 -54.49 14.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.211 0.529 . . . . 0.0 110.548 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.14 -47.24 49.95 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 1.003 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.81 -14.36 2.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.139 0.495 . . . . 0.0 110.457 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.532 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.58 -42.56 95.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.498 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.75 -41.8 82.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.489 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.49 -41.71 79.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.499 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.6 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.18 -49.26 82.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.478 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.526 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.35 -44.26 90.94 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 179.898 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.685 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.77 -54.27 19.44 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.424 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.02 -39.72 72.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.125 0.488 . . . . 0.0 110.53 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.6 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.61 -45.06 46.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.509 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.685 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.02 -30.8 23.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.472 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.659 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.97 -23.78 73.69 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.71 -33.18 23.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.171 0.51 . . . . 0.0 110.497 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.5 mt -55.42 -30.81 61.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.511 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.728 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.8 t -54.98 -35.23 33.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.456 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.38 -42.41 93.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.44 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.34 -48.1 81.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.479 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.07 -41.14 87.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.464 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.033 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.6 t -55.92 -43.57 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.525 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.28 82.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.518 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.48 -60.03 6.67 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.3 -39.48 87.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.093 0.473 . . . . 0.0 110.461 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 1.033 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.51 -44.34 88.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.565 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.75 -41.69 78.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.502 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.816 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.9 -49.95 75.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.543 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 1.168 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.95 -41.29 97.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.559 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.94 -40.27 60.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.55 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.24 -33.35 29.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.525 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.816 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.5 -46.43 47.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.526 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 1.168 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.805 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.512 0 N-CA-C 110.001 -1.239 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.7 -43.94 79.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.155 0.502 . . . . 0.0 110.531 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.594 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.3 -39.73 84.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.473 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -52.01 -40.67 61.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.512 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.9 p -94.92 -1.12 53.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.456 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.594 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.4 t -48.74 -59.95 3.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.516 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.04 -41.57 92.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.513 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.818 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.8 t -63.07 -41.65 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.502 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.98 -39.16 74.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.55 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -81.38 -48.06 12.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.536 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.62 -39.1 88.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.527 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.992 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.1 -45.89 85.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.484 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.5 m -64.46 -42.28 96.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.49 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.998 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.1 m-20 -68.66 -49.92 55.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.49 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.99 -67.87 1.46 Allowed Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.534 -1.027 . . . . 0.0 110.534 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.992 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.8 -54.56 14.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.185 0.517 . . . . 0.0 110.528 179.922 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.09 -47.23 49.71 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.998 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.8 -14.4 2.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.131 0.491 . . . . 0.0 110.446 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.529 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.56 -42.62 95.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.483 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.67 -41.81 82.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.468 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.428 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.52 -41.67 79.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.495 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.597 HG22 HD12 ' A' ' 26' ' ' ILE . 96.6 mt -64.21 -49.19 82.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.486 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.567 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.49 -44.18 90.73 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.456 -1.058 . . . . 0.0 110.456 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.657 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.79 -54.28 19.28 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.513 -1.035 . . . . 0.0 110.513 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.428 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.97 -39.74 72.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.11 0.481 . . . . 0.0 110.481 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.597 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.64 -45.09 45.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.467 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 23' ' ' GLY . 79.0 t -74.94 -30.83 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.478 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.657 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -74.99 -23.73 73.78 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.71 -33.22 23.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.218 0.532 . . . . 0.0 110.505 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.4 mt -55.43 -30.78 61.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.523 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.725 ' O ' HG23 ' A' ' 35' ' ' VAL . 66.5 t -55.01 -35.25 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.488 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.34 -42.43 93.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.446 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.28 -48.18 81.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.48 -179.953 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.11 86.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.522 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.056 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.6 t -55.95 -43.53 75.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.515 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.94 -46.27 82.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.521 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.49 -60.03 6.67 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.28 -39.47 86.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.132 0.491 . . . . 0.0 110.442 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 1.056 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.3 mm -58.56 -44.34 89.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.516 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.74 -41.72 78.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.544 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.818 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.78 -50.08 75.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.538 179.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 1.158 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.92 -41.27 97.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.525 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.3 mt -75.0 -40.25 60.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.505 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.28 -33.32 29.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.517 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.818 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.51 -46.48 47.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.513 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 1.158 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.79 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.471 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.3 t -69.65 -43.96 79.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.136 0.493 . . . . 0.0 110.551 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.592 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.6 mt -66.27 -39.72 84.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.496 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -52.06 -40.62 61.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.491 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.9 p -94.88 -1.21 53.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.454 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.592 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.4 t -48.79 -59.92 3.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.522 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.57 92.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.524 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.815 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.7 t -63.03 -41.67 93.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.513 179.928 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.0 -39.18 74.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.483 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.6 m -81.42 -48.0 12.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.543 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.65 -39.1 88.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.497 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 1.016 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.14 -45.84 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.496 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.9 m -64.47 -42.31 95.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.526 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 1.011 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.4 m-20 -68.6 -49.95 55.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.513 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.9 -67.9 1.46 Allowed Glycine 0 CA--C 1.52 0.366 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 1.016 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.84 -54.54 14.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.114 0.483 . . . . 0.0 110.482 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.13 -47.22 49.96 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 1.011 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.79 -14.4 2.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.157 0.503 . . . . 0.0 110.473 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.53 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.53 -42.61 95.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.51 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.79 -41.73 82.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.464 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.51 -41.73 79.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.458 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.599 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.19 -49.25 82.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.455 -179.935 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.579 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.43 -44.21 90.82 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.628 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.77 -54.23 19.65 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.42 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 92.0 t80 -56.06 -39.75 72.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.13 0.491 . . . . 0.0 110.495 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.599 HD12 HG22 ' A' ' 22' ' ' ILE . 96.7 mt -74.64 -45.04 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.478 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.7 t -74.98 -30.82 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.48 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.628 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.04 -23.72 73.7 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -179.925 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.69 -33.18 23.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.235 0.541 . . . . 0.0 110.535 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.2 mt -55.38 -30.9 61.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.496 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.725 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.2 t -54.99 -35.18 33.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.477 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.4 -42.38 93.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.473 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.35 -48.13 81.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.466 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.07 -41.12 87.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.476 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.042 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.7 t -55.92 -43.59 75.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.483 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.89 -46.29 82.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.528 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.52 -60.01 6.7 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.27 -39.47 86.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.148 0.499 . . . . 0.0 110.5 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 1.042 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.4 mm -58.5 -44.35 88.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.582 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.6 t80 -68.71 -41.75 78.64 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.523 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.816 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.83 -50.03 75.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.507 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 1.143 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.1 ttp -63.89 -41.32 97.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.57 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.4 mt -74.93 -40.29 60.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.507 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.2 -33.36 29.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.522 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.816 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.52 -46.43 47.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.517 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 1.143 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.807 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.433 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.68 -43.96 79.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.128 0.489 . . . . 0.0 110.528 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.602 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.27 -39.72 84.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.557 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.06 -40.62 61.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.539 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.4 p -94.88 -1.23 53.07 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.486 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.602 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.65 -60.0 3.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.533 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.6 92.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.531 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.823 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 66.8 t -63.01 -41.73 93.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.49 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.96 -39.17 74.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.501 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.2 m -81.4 -48.03 12.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.564 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.6 -39.12 88.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.568 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 1.02 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.07 -45.88 85.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.52 179.935 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.3 m -64.49 -42.3 95.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.491 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 1.013 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m-20 -68.64 -50.0 54.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.445 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.86 -67.91 1.46 Allowed Glycine 0 CA--C 1.52 0.366 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 1.02 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.8 -54.52 14.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.17 0.51 . . . . 0.0 110.505 179.932 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.16 -47.23 50.13 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 1.013 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.8 -14.35 2.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.14 0.495 . . . . 0.0 110.508 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.533 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.63 -42.52 95.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.52 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.76 -41.77 82.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.488 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.52 -41.67 79.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.506 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.605 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.19 -49.27 81.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.454 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.58 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -66.4 -44.22 90.89 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.48 -1.048 . . . . 0.0 110.48 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.653 ' O ' ' N ' ' A' ' 28' ' ' GLY . . . -67.75 -54.31 19.32 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.418 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -55.97 -39.73 72.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.162 0.506 . . . . 0.0 110.527 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.605 HD12 HG22 ' A' ' 22' ' ' ILE . 96.6 mt -74.62 -45.09 45.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.468 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 23' ' ' GLY . 78.6 t -74.99 -30.86 24.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.43 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.653 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.0 -23.67 73.95 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.79 -33.19 23.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.15 0.5 . . . . 0.0 110.47 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.6 mt -55.43 -30.84 61.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.49 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.722 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.9 t -54.95 -35.3 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.419 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.35 -42.4 93.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.478 -179.923 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.31 -48.14 81.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.5 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.14 87.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.521 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.056 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.9 t -55.93 -43.59 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.508 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.85 -46.32 82.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.504 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.53 -60.04 6.69 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.0 mt -60.24 -39.47 86.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.128 0.489 . . . . 0.0 110.495 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 1.056 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.55 -44.31 89.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.503 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.536 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.5 t80 -68.76 -41.74 78.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.523 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.821 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.7 m -59.84 -50.0 75.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.505 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 1.143 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.1 ttp -63.97 -41.29 97.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.493 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.7 mt -74.96 -40.28 60.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.477 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.536 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.26 -33.34 29.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.542 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.821 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.52 -46.46 47.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.54 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 1.143 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.808 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.463 0 N-CA-C 110.016 -1.234 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.7 t -69.67 -43.98 79.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.129 0.49 . . . . 0.0 110.516 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.606 ' HA ' ' HB2' ' A' ' 6' ' ' SER . 96.7 mt -66.23 -39.74 85.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.55 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -52.0 -40.66 61.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.517 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.1 p -94.92 -1.19 53.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.469 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.606 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 48.3 t -48.73 -59.99 3.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.5 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.97 -41.55 92.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.542 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.822 ' CG1' ' CG1' ' A' ' 12' ' ' ILE . 67.1 t -63.1 -41.69 93.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.496 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.97 -39.16 74.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.526 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.3 m -81.37 -48.05 12.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.574 179.928 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.63 -39.08 88.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.527 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 1.025 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 33.5 mm -67.08 -45.9 85.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.522 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.8 m -64.47 -42.28 95.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.505 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 1.002 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 42.2 m-20 -68.61 -49.96 55.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.467 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.97 -67.91 1.45 Allowed Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 1.025 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 72.6 tp60 -48.75 -54.56 14.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.143 0.497 . . . . 0.0 110.51 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.08 -47.26 49.57 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 1.002 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 1.8 m-20 -55.84 -14.37 2.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.142 0.496 . . . . 0.0 110.456 -179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.529 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 60.2 ttm -64.51 -42.64 95.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.501 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.74 -41.79 82.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.466 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.418 ' O ' ' CB ' ' A' ' 25' ' ' TYR . . . -68.44 -41.72 79.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.478 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.594 HG22 HD12 ' A' ' 26' ' ' ILE . 96.7 mt -64.2 -49.25 82.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.455 -179.913 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.529 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -66.42 -44.17 90.93 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.672 ' HA2' HG12 ' A' ' 27' ' ' VAL . . . -67.8 -54.23 19.52 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.418 ' CB ' ' O ' ' A' ' 21' ' ' ALA . 91.9 t80 -56.03 -39.7 72.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.169 0.509 . . . . 0.0 110.509 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.598 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 96.7 mt -74.71 -45.04 45.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.436 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.672 HG12 ' HA2' ' A' ' 24' ' ' GLY . 9.6 p -75.02 -30.8 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.437 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.63 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -75.03 -23.75 73.63 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 -179.936 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.69 -33.2 23.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.199 0.523 . . . . 0.0 110.514 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 26' ' ' ILE . 83.3 mt -55.41 -30.87 61.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.496 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.709 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.4 t -54.93 -35.25 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.512 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.31 -42.44 93.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.48 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.35 -48.12 81.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.429 -179.906 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.02 -41.15 87.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.516 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.069 ' O ' HG12 ' A' ' 39' ' ' ILE . 66.6 t -55.89 -43.56 74.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.551 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.94 -46.3 82.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.475 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -49.47 -60.05 6.65 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 110.446 -1.062 . . . . 0.0 110.446 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.26 -39.5 87.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.147 0.499 . . . . 0.0 110.456 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 1.069 HG12 ' O ' ' A' ' 35' ' ' VAL . 31.5 mm -58.52 -44.32 88.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.563 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.547 ' O ' ' N ' ' A' ' 44' ' ' ARG . 89.6 t80 -68.7 -41.73 78.71 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.559 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.812 ' O ' ' CB ' ' A' ' 45' ' ' LYS . 74.6 m -59.9 -49.98 75.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.5 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 1.161 ' O ' ' O ' ' A' ' 46' ' ' ALA . 66.2 ttp -63.95 -41.24 97.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.542 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.98 -40.3 60.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.49 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.547 ' N ' ' O ' ' A' ' 40' ' ' TYR . 31.9 tpt180 -82.22 -33.41 29.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.497 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.812 ' CB ' ' O ' ' A' ' 41' ' ' SER . 88.2 tttt -73.46 -46.43 48.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.525 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 1.161 ' O ' ' O ' ' A' ' 42' ' ' MET . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.804 -179.996 . . . . . . . . 1 1 . 1 stop_ save_