data_2kbv_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 2kbv _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 ' 447' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.739 0.304 . . . . 1.0 110.546 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . 0.437 ' C ' ' H ' ' A' ' 450' ' ' PHE . 34.6 m-20 -72.89 -46.37 53.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.532 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -49.71 -14.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.661 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.437 ' H ' ' C ' ' A' ' 448' ' ' ASP . 83.0 m-85 -90.12 -37.53 14.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.527 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . 0.426 ' C ' ' H ' ' A' ' 453' ' ' ALA . 16.6 mt -72.24 -55.88 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.549 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 1.8 pp -57.93 -8.59 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.535 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . 0.426 ' H ' ' C ' ' A' ' 451' ' ' ILE . . . -90.01 -29.5 18.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.605 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.587 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.847 0.356 . . . . 1.0 110.654 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -49.4 75.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.568 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -55.91 -19.3 11.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.546 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -90.71 -47.44 7.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.623 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 14.9 mt -51.54 -63.95 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.609 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 5.1 pt -51.61 -35.39 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.558 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -70.22 -23.52 62.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.445 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.477 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 10.6 ttpp . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.88 0.371 . . . . 1.0 110.577 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 448' ' ' ASP . 21.8 p-10 -82.0 -12.29 58.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.551 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -89.91 -14.56 33.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.505 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.58 -27.09 20.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.512 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . 0.434 ' C ' ' H ' ' A' ' 453' ' ' ALA . 22.1 mt -71.44 -59.61 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.557 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 5.9 pt -51.97 -12.97 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.554 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . 0.434 ' H ' ' C ' ' A' ' 451' ' ' ILE . . . -89.58 -27.99 19.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.589 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.553 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.885 0.374 . . . . 1.0 110.6 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -75.43 -12.43 60.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.639 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -86.89 -13.38 45.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.573 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.495 ' CD1' ' O ' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -90.0 -21.1 22.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.586 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . 0.445 ' C ' ' N ' ' A' ' 453' ' ' ALA . 32.2 mt -76.58 -59.42 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.605 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 1.1 pt -48.75 -15.34 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.608 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . 0.445 ' N ' ' C ' ' A' ' 451' ' ' ILE . . . -81.7 -35.12 30.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.518 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.548 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.745 0.307 . . . . 1.0 110.536 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -60.61 -25.38 66.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.594 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -90.25 -14.88 32.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.567 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.496 ' CD1' ' O ' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -90.03 -13.53 35.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.599 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 9.2 mt -88.69 -56.21 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.616 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 16.6 pt -53.67 -17.01 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.442 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -73.43 -41.94 62.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.53 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.611 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.526 0.037 0 CA-C-O 120.871 0.367 . . . . 1.0 110.601 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -67.6 -9.97 47.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.56 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -90.01 -17.23 28.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.56 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.13 -36.84 14.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.54 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 454' ' ' TYR . 21.5 mt -63.78 -60.66 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.582 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 17.8 tt -46.02 -22.69 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.497 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 451' ' ' ILE . . . -78.57 -38.07 41.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.481 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . 0.414 ' N ' ' O ' ' A' ' 451' ' ' ILE . 37.5 m-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.665 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.827 0.346 . . . . 1.0 110.612 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -58.43 -30.45 66.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.625 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -85.46 -14.52 45.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.579 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -90.39 -47.52 7.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.593 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 12.1 mt -54.45 -62.74 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.601 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 10.2 pt -51.75 -19.86 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.308 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -72.26 -49.71 32.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.433 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.396 179.918 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.742 0.306 . . . . 1.0 110.579 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.89 -52.21 65.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.638 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -62.43 -15.85 51.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.699 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -89.64 -44.34 10.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.45 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . 0.45 ' C ' ' H ' ' A' ' 453' ' ' ALA . 14.5 mt -74.27 -53.36 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.481 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . 0.44 ' O ' ' CG2' ' A' ' 452' ' ' ILE . 28.3 mt -55.15 -9.49 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.543 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . 0.45 ' H ' ' C ' ' A' ' 451' ' ' ILE . . . -89.7 -48.64 7.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.588 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . 0.41 ' N ' ' CD1' ' A' ' 454' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.654 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 447' ' ' LYS . . . . . 0.441 ' C ' ' H ' ' A' ' 449' ' ' GLN . 20.2 ttpt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.77 0.319 . . . . 1.0 110.545 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -58.29 -7.3 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.574 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 449' ' ' GLN . . . . . 0.441 ' H ' ' C ' ' A' ' 447' ' ' LYS . 8.6 mm-40 -89.11 -14.83 35.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.594 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -90.01 -25.31 20.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.623 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . 0.438 ' C ' ' H ' ' A' ' 453' ' ' ALA . 11.6 mt -85.34 -53.38 10.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.544 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 1.3 tt -57.38 -8.5 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.483 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . 0.438 ' H ' ' C ' ' A' ' 451' ' ' ILE . . . -89.99 -34.44 15.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.594 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.608 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.82 0.343 . . . . 1.0 110.593 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.68 -23.4 2.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.702 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -69.09 -26.67 65.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.606 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -91.25 -35.01 14.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.059 -0.518 . . . . 1.0 110.543 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 15.8 mt -76.78 -54.1 13.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.721 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 2.5 tt -57.46 -14.92 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.595 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . 0.471 ' O ' ' CD1' ' A' ' 454' ' ' TYR . . . -85.75 -23.73 27.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.438 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . 0.471 ' CD1' ' O ' ' A' ' 453' ' ' ALA . 47.9 m-85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.439 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.77 0.319 . . . . 1.0 110.593 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -60.16 -41.18 92.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.67 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -71.08 -14.28 62.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.675 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -91.35 -51.59 5.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.434 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 12.0 mt -50.2 -63.51 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.584 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 7.8 pt -48.69 -38.54 9.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.932 -0.396 . . . . 1.0 109.932 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -53.44 -30.29 39.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 1.0 109.796 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 115.761 -0.654 . . . . 1.0 110.196 179.749 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.734 0.302 . . . . 1.0 110.538 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.96 -9.74 59.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.593 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 449' ' ' GLN . . . . . 0.469 ' CD ' ' N ' ' A' ' 449' ' ' GLN . 18.4 mp0 -89.85 -13.98 35.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.572 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.515 ' CD1' ' O ' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -90.18 -23.36 21.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.517 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 6.1 mt -78.06 -51.92 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.503 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 7.6 tt -50.16 -29.93 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.567 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -64.65 -46.74 81.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.566 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.66 -179.952 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.73 0.3 . . . . 1.0 110.512 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -67.6 -31.48 71.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.594 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -71.01 -15.05 62.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.624 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' ' 450' ' ' PHE . 35.8 m-85 -90.08 -42.33 11.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.561 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 16.4 mt -67.41 -56.86 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.631 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 2.9 tt -55.58 -15.5 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.569 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -85.55 -30.46 23.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.658 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.478 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 447' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 450' ' ' PHE . 6.1 mtmt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.735 0.302 . . . . 1.0 110.476 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.51 -21.5 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.52 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -90.29 -21.8 21.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.55 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 447' ' ' LYS . 0.0 OUTLIER -90.91 -23.0 20.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.565 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . 0.441 ' C ' ' H ' ' A' ' 453' ' ' ALA . 5.5 mt -81.52 -53.38 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.495 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 7.9 tt -51.53 -13.49 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.477 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . 0.441 ' H ' ' C ' ' A' ' 451' ' ' ILE . . . -86.73 -35.98 18.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.544 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.569 -179.938 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.762 0.315 . . . . 1.0 110.532 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -55.74 -11.73 1.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.567 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -90.22 -17.73 26.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.597 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -90.67 -47.06 7.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.536 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 11.6 mt -53.36 -63.02 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.637 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 19.5 pt -47.79 -24.37 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.498 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -66.9 -42.87 84.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.595 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.457 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 10.5 ttpp . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.861 0.362 . . . . 1.0 110.56 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -75.6 -32.52 60.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.613 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -63.09 -19.35 64.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.555 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -90.8 -29.73 17.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.457 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 13.0 mt -71.35 -59.22 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.575 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 2.0 pp -57.35 -29.75 33.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.522 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -75.49 -18.75 59.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.51 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.567 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.761 0.315 . . . . 1.0 110.507 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.46 -19.68 27.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.597 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -91.15 -6.72 53.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.601 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.426 ' CD1' ' C ' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -90.89 -35.74 14.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.432 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 56.2 mt -65.8 -53.76 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.212 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 1.7 mp -52.75 -27.69 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.238 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -70.45 -38.85 74.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.676 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.933 -179.705 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.764 0.316 . . . . 1.0 110.527 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -74.11 -29.08 61.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.55 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -69.21 -4.86 19.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.568 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -91.23 -49.54 6.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.471 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . 0.419 ' C ' ' H ' ' A' ' 453' ' ' ALA . 2.7 mp -65.53 -56.45 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.579 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 2.0 pp -56.69 -10.4 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.498 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . 0.513 ' O ' ' CD1' ' A' ' 454' ' ' TYR . . . -90.47 -33.89 15.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.485 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . 0.513 ' CD1' ' O ' ' A' ' 453' ' ' ALA . 13.3 m-85 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.743 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.751 0.31 . . . . 1.0 110.518 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -72.5 -19.46 61.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.625 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -84.02 -21.34 31.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.512 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 450' ' ' PHE . 29.6 m-85 -90.79 -38.81 12.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.567 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 454' ' ' TYR . 9.7 mt -52.17 -66.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.552 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 1.8 pp -43.15 -21.06 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.402 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 451' ' ' ILE . . . -78.27 -39.76 39.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.395 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . 0.493 ' N ' ' O ' ' A' ' 451' ' ' ILE . 46.2 m-85 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.763 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.828 0.347 . . . . 1.0 110.55 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 449' ' ' GLN . 29.9 p-10 -60.79 -23.78 65.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.628 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 449' ' ' GLN . . . . . 0.482 ' N ' ' OD1' ' A' ' 448' ' ' ASP . 23.9 mm-40 -90.04 -17.06 28.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.576 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.514 ' CD1' ' O ' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -90.28 -24.37 20.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.524 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 11.3 mt -79.58 -55.05 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.523 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 15.4 tt -52.3 -31.2 14.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.579 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -65.39 -29.79 70.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.533 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.612 179.98 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.718 0.294 . . . . 1.0 110.566 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -73.82 -15.08 61.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.589 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -90.28 -20.51 22.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.556 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' A' ' 450' ' ' PHE . 27.1 m-85 -90.7 -27.21 19.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.49 -179.902 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 9.5 mt -64.21 -56.57 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.604 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 5.2 pt -51.89 -39.18 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.56 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -61.03 -39.9 91.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.387 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.388 179.957 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt . . . . . 0 C--O 1.23 0.034 0 CA-C-O 120.769 0.318 . . . . 1.0 110.855 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -98.0 -9.07 26.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.106 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.55 -20.26 22.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.862 -0.608 . . . . 1.0 109.937 179.775 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.515 ' CD1' ' O ' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -86.6 -18.29 31.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.256 179.757 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 13.5 mt -80.3 -49.76 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.356 179.762 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 1.8 pp -53.14 -23.77 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.357 179.776 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -83.26 -22.75 32.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.761 -179.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.893 -179.766 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.808 0.337 . . . . 1.0 110.499 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.92 -26.74 67.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.584 -179.926 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -69.22 -13.68 62.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.614 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -90.11 -42.84 10.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.494 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . 0.435 ' C ' ' H ' ' A' ' 453' ' ' ALA . 10.6 mt -75.03 -51.47 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.495 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . 0.44 ' O ' ' CG2' ' A' ' 452' ' ' ILE . 60.1 mt -56.51 -9.81 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.497 179.869 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . 0.435 ' H ' ' C ' ' A' ' 451' ' ' ILE . . . -90.06 -33.03 16.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.657 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.66 -179.948 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.839 0.352 . . . . 1.0 110.567 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 448' ' ' ASP . 26.0 t0 -73.28 -18.34 61.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.625 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -78.66 -19.38 52.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.555 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 450' ' ' PHE . 26.6 m-85 -90.62 -30.54 17.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.534 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . 0.403 ' C ' ' N ' ' A' ' 453' ' ' ALA . 11.9 mt -66.27 -59.38 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.506 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 6.0 pt -53.3 -13.11 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.596 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . 0.42 ' O ' ' CD1' ' A' ' 454' ' ' TYR . . . -90.73 -24.78 20.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.66 -179.938 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . 0.42 ' CD1' ' O ' ' A' ' 453' ' ' ALA . 46.4 m-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.748 -179.892 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.776 0.322 . . . . 1.0 110.592 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -73.12 -12.36 60.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.627 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -88.94 -21.97 23.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.616 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' A' ' 450' ' ' PHE . 26.0 m-85 -91.09 -34.87 14.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.53 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 11.1 mt -63.96 -50.18 78.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.584 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 12.0 pt -45.53 -32.79 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.228 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . 0.517 ' O ' ' CD1' ' A' ' 454' ' ' TYR . . . -84.81 -37.67 20.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.223 179.72 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . 0.517 ' CD1' ' O ' ' A' ' 453' ' ' ALA . 21.3 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.57 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 447' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 450' ' ' PHE . 0.2 OUTLIER . . . . . 0 CA--C 1.526 0.051 0 CA-C-O 120.762 0.315 . . . . 1.0 110.559 . . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.54 -25.55 2.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.547 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -90.25 -18.03 26.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.616 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.445 ' N ' ' O ' ' A' ' 447' ' ' LYS . 0.0 OUTLIER -90.33 -41.19 11.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.632 179.945 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 454' ' ' TYR . 5.4 mt -52.13 -65.86 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.534 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 6.8 pt -44.78 -22.02 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.426 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 451' ' ' ILE . . . -77.82 -37.29 48.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.521 179.842 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . 0.476 ' N ' ' O ' ' A' ' 451' ' ' ILE . 63.0 m-85 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.718 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 14.8 mtmt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.793 0.33 . . . . 1.0 110.576 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . 0.415 ' O ' ' CG2' ' A' ' 452' ' ' ILE . 65.6 m-20 -76.47 -24.31 53.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.695 -179.895 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -79.42 -24.52 42.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.539 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -91.01 -47.06 7.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.43 179.858 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 14.4 mt -60.77 -54.83 29.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.476 179.881 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . 0.422 ' CG2' ' N ' ' A' ' 453' ' ' ALA . 9.3 tt -55.83 -37.27 46.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.424 179.894 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . 0.422 ' N ' ' CG2' ' A' ' 452' ' ' ILE . . . -66.16 -23.73 66.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.372 179.895 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.551 179.982 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.776 0.322 . . . . 1.0 110.538 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.75 -21.94 34.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.524 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -89.96 -14.25 34.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.593 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.452 ' CD1' ' O ' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -89.97 -24.48 21.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.596 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 43.2 mt -73.41 -59.03 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.569 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 23.0 pt -54.19 -13.77 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.571 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -87.42 -25.81 23.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.514 -179.913 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.545 179.981 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 447' ' ' LYS . . . . . 0.497 ' C ' ' H ' ' A' ' 449' ' ' GLN . 21.6 ttpt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.784 0.326 . . . . 1.0 110.588 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.55 -13.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.799 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 449' ' ' GLN . . . . . 0.497 ' H ' ' C ' ' A' ' 447' ' ' LYS . 45.3 mt-30 -88.64 -31.13 18.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.937 -179.667 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.406 ' N ' ' O ' ' A' ' 447' ' ' LYS . 36.7 m-85 -75.1 -19.16 60.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.34 179.941 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . 0.412 HD12 HG21 ' A' ' 451' ' ' ILE . 18.4 mm -67.87 -65.75 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.746 -0.661 . . . . 1.0 110.429 179.819 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 13.7 pt -45.84 -28.06 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.196 179.757 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -61.12 -39.32 89.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.338 179.716 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.296 179.831 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.834 0.349 . . . . 1.0 110.659 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.13 -44.41 87.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.631 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -72.77 -14.52 61.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.545 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 450' ' ' PHE . 33.9 m-85 -88.08 -34.1 18.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.652 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . 0.444 ' C ' ' H ' ' A' ' 453' ' ' ALA . 15.7 mt -72.81 -56.87 8.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.532 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 4.0 tt -55.24 -9.33 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.582 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . 0.444 ' H ' ' C ' ' A' ' 451' ' ' ILE . . . -90.04 -34.73 15.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.608 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.664 179.948 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 447' ' ' LYS . . . . . 0.479 ' C ' ' H ' ' A' ' 449' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.836 0.351 . . . . 1.0 110.359 . . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.69 -8.89 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.627 -179.836 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 449' ' ' GLN . . . . . 0.479 ' H ' ' C ' ' A' ' 447' ' ' LYS . 7.5 mt-30 -90.36 -21.05 22.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.559 -179.948 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 450' ' ' PHE . 30.3 m-85 -90.79 -35.0 15.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.6 179.947 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 14.1 mt -58.8 -50.93 77.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.63 -179.954 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 11.4 pt -57.83 -15.8 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.545 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -84.03 -32.19 25.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.64 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.575 179.937 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.845 0.355 . . . . 1.0 110.585 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.84 -13.2 1.65 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.582 179.95 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -90.03 -16.19 30.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.634 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.26 -26.49 20.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.537 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 10.0 mt -64.11 -64.69 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.445 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 1.8 pp -49.09 -25.48 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.338 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -80.58 -32.61 36.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.482 179.738 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.76 179.931 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 20.4 mtmm . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.777 0.322 . . . . 1.0 110.462 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.71 -27.16 69.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.493 -179.945 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -89.57 -14.01 36.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.566 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -89.96 -39.55 12.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.535 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . 0.433 ' C ' ' H ' ' A' ' 453' ' ' ALA . 12.3 mt -73.35 -54.63 15.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.551 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 6.5 tt -55.56 -9.98 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.576 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . 0.433 ' H ' ' C ' ' A' ' 451' ' ' ILE . . . -90.04 -31.13 17.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.618 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.621 179.883 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.829 0.347 . . . . 1.0 110.549 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -57.53 -14.04 4.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.599 179.966 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -87.91 -8.87 55.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.477 -179.969 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.67 -47.05 7.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.445 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 454' ' ' TYR . 2.7 mp -64.67 -57.02 13.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.676 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 20.0 tt -47.11 -30.1 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.37 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -72.35 -33.94 67.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.391 179.842 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 451' ' ' ILE . 4.1 m-85 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.456 179.901 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.713 0.292 . . . . 1.0 110.301 . . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.52 -14.22 62.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.547 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -89.45 -12.27 40.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.552 -179.955 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.506 ' CD1' ' O ' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -86.5 -18.8 30.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.493 -179.938 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 29.9 mt -78.16 -57.42 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.491 -179.962 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 9.8 pt -54.93 -12.25 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.547 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . 0.403 ' O ' ' CD1' ' A' ' 454' ' ' TYR . . . -88.5 -21.87 23.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.598 -179.978 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . 0.403 ' CD1' ' O ' ' A' ' 453' ' ' ALA . 64.1 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.621 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.802 0.334 . . . . 1.0 110.5 . . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.65 -29.51 70.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.629 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -66.53 -18.1 65.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.602 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -91.29 -49.21 6.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.436 -179.985 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 12.1 mt -54.47 -62.02 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.553 -179.969 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 2.0 pp -49.82 -22.52 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.419 179.957 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -67.65 -40.48 84.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.503 179.901 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.438 179.903 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.739 0.304 . . . . 1.0 110.372 . . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.05 -14.02 51.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.566 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -90.04 -14.62 33.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.595 179.962 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.523 ' CD1' ' O ' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -84.94 -16.13 42.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.53 -179.922 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 42.0 mt -83.18 -56.28 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.593 179.981 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 1.7 pp -56.48 -13.12 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.522 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -88.8 -29.62 19.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.584 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.54 -179.962 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.751 0.31 . . . . 1.0 110.484 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.97 -23.27 12.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.658 -179.943 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -90.07 -20.64 22.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.66 179.95 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 450' ' ' PHE . 30.9 m-85 -90.77 -41.73 11.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.558 -179.939 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 15.8 mt -53.4 -65.1 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.586 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 6.2 pt -50.68 -26.89 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.469 179.946 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -68.3 -31.16 70.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.574 179.836 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.59 179.959 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.806 0.336 . . . . 1.0 110.583 . . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -84.47 -27.91 27.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.548 -179.977 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -90.12 -14.1 34.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.569 -179.946 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -87.23 -29.64 21.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.578 -179.998 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . 0.418 ' C ' ' N ' ' A' ' 453' ' ' ALA . 17.2 mt -69.07 -60.62 2.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.521 -179.997 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 16.6 tt -47.19 -19.79 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.638 179.913 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . 0.432 ' O ' ' CD1' ' A' ' 454' ' ' TYR . . . -76.94 -34.37 57.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.515 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . 0.432 ' CD1' ' O ' ' A' ' 453' ' ' ALA . 34.7 m-85 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.652 -179.957 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.836 0.35 . . . . 1.0 110.658 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -68.13 -60.4 2.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.647 -179.971 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.28 -23.28 0.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.563 179.993 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -91.14 -46.88 7.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.541 179.878 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 11.6 mt -61.92 -58.62 6.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.552 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . 0.447 ' CG2' ' N ' ' A' ' 453' ' ' ALA . 2.9 tt -51.29 -40.0 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.33 179.949 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 453' ' ' ALA . . . . . 0.447 ' N ' ' CG2' ' A' ' 452' ' ' ILE . . . -58.15 -28.49 64.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.161 179.608 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 115.87 -0.605 . . . . 1.0 110.167 179.787 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -143.74 -36.88 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.739 0.304 . . . . 1.0 110.546 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . 0.437 ' C ' ' H ' ' A' ' 450' ' ' PHE . 34.6 m-20 -72.89 -46.37 53.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.532 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -49.71 -14.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.661 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.437 ' H ' ' C ' ' A' ' 448' ' ' ASP . 83.0 m-85 -90.12 -37.53 14.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.527 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . 0.426 ' C ' ' H ' ' A' ' 453' ' ' ALA . 16.6 mt -72.24 -55.88 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.549 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 1.8 pp -57.93 -8.59 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.535 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . 0.426 ' H ' ' C ' ' A' ' 451' ' ' ILE . . . -90.01 -29.5 18.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.605 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -140.84 -69.19 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.587 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -41.11 -30.97 0.46 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . -99.21 -52.91 1.2 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.005 -0.838 . . . . 1.0 111.005 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.405 ' O ' ' CB ' ' A' ' 458' ' ' ARG . 14.8 tp -72.92 -64.85 0.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 1.0 110.469 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . 0.509 ' O ' ' N ' ' A' ' 460' ' ' ALA . 3.4 tpp180 74.51 45.87 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.434 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -41.1 -21.54 0.05 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.934 -0.867 . . . . 1.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 458' ' ' ARG . . . -51.84 -25.81 8.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 1.0 110.576 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.538 ' N ' ' CD1' ' A' ' 461' ' ' ILE . 1.6 mp -92.37 -44.66 14.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.475 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -57.47 -38.63 74.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.687 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' PHE . . . . . 0.57 ' CD1' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -66.7 -44.45 81.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.486 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' SER . . . . . 0.57 ' N ' ' CD1' ' A' ' 463' ' ' PHE . 30.3 m -56.89 -44.98 82.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.502 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.5 mt -72.5 -37.76 68.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.53 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -86.56 1.15 87.17 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 467' ' ' TYR . . . . . 0.491 ' N ' ' O ' ' A' ' 463' ' ' PHE . 0.6 OUTLIER -83.04 -28.94 29.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.801 0.334 . . . . 1.0 110.647 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 470' ' ' ASP . 1.9 mp -74.53 -76.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.716 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 2.0 pp -46.23 -16.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.6 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 468' ' ' LEU . 1.5 t70 -80.74 -47.84 13.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.474 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.21 -45.36 8.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.596 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 35.5 mmtt -83.53 -16.13 46.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.58 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.319 0 O-C-N 119.99 -1.694 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -137.99 -35.68 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 1.0 110.654 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -49.4 75.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.568 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -55.91 -19.3 11.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.546 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -90.71 -47.44 7.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.623 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 14.9 mt -51.54 -63.95 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.609 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 5.1 pt -51.61 -35.39 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.558 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -70.22 -23.52 62.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.445 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -86.33 -31.77 21.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.477 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 106.75 27.6 5.38 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . 44.08 71.95 0.39 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.658 ' N ' ' HE ' ' A' ' 458' ' ' ARG . 0.9 OUTLIER -131.44 -30.19 1.71 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.67 0.271 . . . . 1.0 110.608 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . 0.658 ' HE ' ' N ' ' A' ' 457' ' ' LEU . 0.0 OUTLIER -40.61 -22.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.377 . . . . 1.0 110.809 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . 0.652 ' H ' ' NE ' ' A' ' 458' ' ' ARG . . . -54.08 -36.51 56.64 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.038 -0.825 . . . . 1.0 111.038 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -80.07 -12.71 59.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.773 0.32 . . . . 1.0 110.639 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.531 ' N ' ' CD1' ' A' ' 461' ' ' ILE . 1.6 mp -91.62 -47.92 14.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.654 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -59.52 -35.88 75.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.717 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 463' ' ' PHE . . . . . 0.616 ' CD1' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -64.38 -40.93 96.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.471 179.872 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 464' ' ' SER . . . . . 0.616 ' N ' ' CD1' ' A' ' 463' ' ' PHE . 2.1 t -69.26 -11.78 61.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.482 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -89.73 -53.03 4.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.511 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -85.31 0.48 88.63 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.034 -0.827 . . . . 1.0 111.034 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -65.59 -35.01 79.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.713 0.292 . . . . 1.0 110.601 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 472' ' ' LYS . 1.9 mp -66.75 -75.59 0.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.791 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 2.1 pp -48.22 -16.94 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.681 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.434 ' N ' ' C ' ' A' ' 468' ' ' LEU . 4.1 t70 -81.09 -44.61 17.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.385 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -96.54 -48.64 5.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.55 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 468' ' ' LEU . 3.4 mptt -64.07 145.41 55.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.612 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 119.968 -1.708 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 10.6 ttpp -139.2 -45.73 0.46 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.88 0.371 . . . . 1.0 110.577 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 448' ' ' ASP . 21.8 p-10 -82.0 -12.29 58.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.551 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -89.91 -14.56 33.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.505 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.58 -27.09 20.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.512 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . 0.434 ' C ' ' H ' ' A' ' 453' ' ' ALA . 22.1 mt -71.44 -59.61 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.557 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 5.9 pt -51.97 -12.97 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.554 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . 0.434 ' H ' ' C ' ' A' ' 451' ' ' ILE . . . -89.58 -27.99 19.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.589 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 0.4 ' O ' ' N ' ' A' ' 456' ' ' GLY . 85.8 m-85 -139.7 -70.44 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.553 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -41.28 -27.72 0.26 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.976 -0.85 . . . . 1.0 110.976 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -98.87 -44.47 2.43 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 14.9 tp -86.94 -68.9 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.683 0.277 . . . . 1.0 110.323 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . 0.482 ' C ' ' H ' ' A' ' 460' ' ' ALA . 5.0 tpt85 68.71 49.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.521 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -47.03 -14.18 0.12 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.032 -0.827 . . . . 1.0 111.032 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . 0.482 ' H ' ' C ' ' A' ' 458' ' ' ARG . . . -57.67 -16.57 11.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.838 0.352 . . . . 1.0 110.609 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.497 ' N ' ' CD1' ' A' ' 461' ' ' ILE . 1.4 mp -91.96 -53.87 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.51 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -53.25 -37.86 62.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 463' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' A' ' 463' ' ' PHE . 0.0 OUTLIER -67.36 -40.09 85.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.37 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 464' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 461' ' ' ILE . 82.5 p -68.98 -13.03 62.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.506 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -85.23 -49.44 8.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.423 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -78.01 0.83 71.38 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.998 -0.841 . . . . 1.0 110.998 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -91.65 -42.93 9.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.724 0.297 . . . . 1.0 110.488 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.463 ' C ' ' H ' ' A' ' 470' ' ' ASP . 8.7 mt -60.94 -54.58 43.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.474 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . 0.422 ' CD1' ' C ' ' A' ' 469' ' ' LEU . 3.1 pp -61.47 -4.33 1.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.392 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.463 ' H ' ' C ' ' A' ' 468' ' ' LEU . 0.2 OUTLIER -99.59 -36.38 9.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.256 179.859 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm -111.74 -58.24 2.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.46 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 468' ' ' LEU . 2.2 mmmp? -91.24 86.35 6.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.554 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 120.059 -1.651 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp -100.33 -53.69 3.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.885 0.374 . . . . 1.0 110.6 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -75.43 -12.43 60.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.639 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -86.89 -13.38 45.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.573 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.495 ' CD1' ' O ' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -90.0 -21.1 22.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.586 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . 0.445 ' C ' ' N ' ' A' ' 453' ' ' ALA . 32.2 mt -76.58 -59.42 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.605 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 1.1 pt -48.75 -15.34 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.608 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . 0.445 ' N ' ' C ' ' A' ' 451' ' ' ILE . . . -81.7 -35.12 30.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.518 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 0.517 ' O ' ' N ' ' A' ' 456' ' ' GLY . 38.3 m-85 -140.6 -65.54 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.548 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -41.21 -21.75 0.06 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -102.5 -56.92 0.81 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.849 -0.9 . . . . 1.0 110.849 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.508 ' C ' ' H ' ' A' ' 459' ' ' GLY . 15.0 tp -54.22 -76.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.88 0.371 . . . . 1.0 110.325 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 2.4 tpt85 73.06 -37.74 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.582 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . 0.508 ' H ' ' C ' ' A' ' 457' ' ' LEU . . . -48.08 -53.3 15.18 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 463' ' ' PHE . . . -54.45 -70.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.697 0.284 . . . . 1.0 110.582 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.41 ' N ' ' CD1' ' A' ' 461' ' ' ILE . 1.7 mp -48.92 -35.3 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.459 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -68.01 -27.01 66.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.685 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 463' ' ' PHE . . . . . 0.532 ' CD2' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -89.84 -44.71 9.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.527 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 464' ' ' SER . . . . . 0.532 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 0.2 OUTLIER -58.88 -14.41 8.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.58 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.2 mp -90.01 -45.08 9.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.568 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . 0.414 ' O ' ' OD2' ' A' ' 470' ' ' ASP . . . -84.48 1.25 88.99 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -90.87 -35.51 14.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.753 0.311 . . . . 1.0 110.646 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 472' ' ' LYS . 8.6 mt -65.03 -75.13 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.904 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 2.0 pp -44.58 -18.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.683 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.4 OUTLIER -80.17 -41.99 24.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.425 179.878 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 468' ' ' LEU . 10.0 mmtm -104.81 -50.3 3.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.468 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 468' ' ' LEU . 7.9 mmtp -79.59 -68.43 0.67 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.572 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 120.047 -1.658 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.063 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt -144.09 -52.25 0.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.745 0.307 . . . . 1.0 110.536 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -60.61 -25.38 66.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.594 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -90.25 -14.88 32.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.567 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.496 ' CD1' ' O ' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -90.03 -13.53 35.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.599 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 9.2 mt -88.69 -56.21 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.616 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 16.6 pt -53.67 -17.01 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.442 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -73.43 -41.94 62.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.53 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -92.67 17.88 9.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.611 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . 0.518 ' O ' ' NH1' ' A' ' 458' ' ' ARG . . . 48.8 46.59 31.42 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.161 -0.776 . . . . 1.0 111.161 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . 88.29 -16.57 52.15 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.085 -0.806 . . . . 1.0 111.085 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.533 ' C ' ' H ' ' A' ' 459' ' ' GLY . 0.6 OUTLIER 58.19 19.32 6.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.911 0.386 . . . . 1.0 110.388 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . 0.662 ' HE ' ' N ' ' A' ' 459' ' ' GLY . 0.0 OUTLIER -71.05 15.02 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.837 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . 0.662 ' N ' ' HE ' ' A' ' 458' ' ' ARG . . . -102.54 -8.96 42.18 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.879 -0.888 . . . . 1.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -101.84 -5.81 24.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.828 0.347 . . . . 1.0 110.566 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.545 ' N ' ' CD1' ' A' ' 461' ' ' ILE . 1.7 mp -90.28 -58.95 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.486 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -60.16 -30.45 69.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.594 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 463' ' ' PHE . . . . . 0.612 ' CD2' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -71.96 -48.41 45.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.514 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 464' ' ' SER . . . . . 0.612 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 2.5 t -56.76 -47.53 79.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.495 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.4 mt -73.08 -32.69 65.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.581 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -90.05 0.58 79.1 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.969 -0.853 . . . . 1.0 110.969 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 467' ' ' TYR . . . . . 0.522 ' N ' ' O ' ' A' ' 463' ' ' PHE . 2.5 t80 -86.95 -36.15 18.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 1.0 110.717 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 470' ' ' ASP . 8.2 mt -65.62 -77.59 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.607 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -46.08 -17.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.644 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 468' ' ' LEU . 1.7 t0 -80.35 -38.6 30.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.431 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 468' ' ' LEU . 8.0 mmtm -104.2 -47.37 4.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.515 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 468' ' ' LEU . 46.3 mmtt -85.14 40.52 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.665 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 120.061 -1.649 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.49 -38.63 11.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.871 0.367 . . . . 1.0 110.601 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -67.6 -9.97 47.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.56 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -90.01 -17.23 28.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.56 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.13 -36.84 14.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.54 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 454' ' ' TYR . 21.5 mt -63.78 -60.66 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.582 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 17.8 tt -46.02 -22.69 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.497 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 451' ' ' ILE . . . -78.57 -38.07 41.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.481 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' ' 456' ' ' GLY . 37.5 m-85 -136.43 -66.5 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.665 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -39.99 -24.67 0.06 OUTLIER Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -109.95 -58.27 0.51 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.818 -0.913 . . . . 1.0 110.818 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 459' ' ' GLY . 57.3 tp -42.36 -87.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.771 0.32 . . . . 1.0 110.282 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . 0.515 ' NH2' ' CG2' ' A' ' 461' ' ' ILE . 0.0 OUTLIER 41.91 20.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.666 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 457' ' ' LEU . . . -103.79 20.83 40.27 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -136.86 -67.29 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.671 0.272 . . . . 1.0 110.516 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.515 ' CG2' ' NH2' ' A' ' 458' ' ' ARG . 1.7 mp -53.46 -43.38 52.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.397 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -46.19 -33.68 3.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.595 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.62 -27.04 19.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.454 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 8.0 t -64.59 -34.91 79.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.67 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.0 pp -90.15 -23.52 21.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.583 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . 0.416 ' O ' ' OD1' ' A' ' 470' ' ' ASP . . . -90.16 1.39 79.95 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.014 -0.834 . . . . 1.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 467' ' ' TYR . . . . . 0.43 ' O ' ' N ' ' A' ' 471' ' ' LYS . 7.0 t80 -90.55 -41.56 11.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.789 0.328 . . . . 1.0 110.716 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.507 ' C ' ' H ' ' A' ' 470' ' ' ASP . 8.7 mt -56.99 -75.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.852 -179.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -47.26 -13.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.714 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.507 ' H ' ' C ' ' A' ' 468' ' ' LEU . 1.0 OUTLIER -97.24 -32.52 11.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.629 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.0 OUTLIER -87.51 -25.91 23.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.479 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 6.7 mmtm -68.2 -54.78 15.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.567 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.303 0 O-C-N 120.003 -1.686 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -139.95 -43.05 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.827 0.346 . . . . 1.0 110.612 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -58.43 -30.45 66.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.625 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -85.46 -14.52 45.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.579 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -90.39 -47.52 7.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.593 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 12.1 mt -54.45 -62.74 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.601 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 10.2 pt -51.75 -19.86 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.308 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -72.26 -49.71 32.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.433 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -93.81 20.3 7.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.396 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . 0.521 ' C ' ' H ' ' A' ' 457' ' ' LEU . . . 41.38 80.02 0.04 OUTLIER Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.736 -0.946 . . . . 1.0 110.736 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . 0.509 ' C ' ' H ' ' A' ' 458' ' ' ARG . . . 51.91 7.76 0.34 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.521 ' H ' ' C ' ' A' ' 455' ' ' GLY . 1.2 tt 57.33 6.45 0.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.306 0.574 . . . . 1.0 109.728 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . 0.509 ' H ' ' C ' ' A' ' 456' ' ' GLY . 17.0 mmm180 -42.58 -21.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.519 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 457' ' ' LEU . . . -72.16 41.14 0.74 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . 0.489 ' H ' ' C ' ' A' ' 458' ' ' ARG . . . -148.6 -37.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 1.0 110.656 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.475 ' N ' ' CD1' ' A' ' 461' ' ' ILE . 1.6 mp -65.82 -35.72 75.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.521 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -67.79 -28.01 67.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.617 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.92 -45.72 9.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.536 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.71 -23.21 16.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.579 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.515 ' C ' ' H ' ' A' ' 467' ' ' TYR . 2.3 mp -78.67 -67.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.542 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -62.68 1.83 1.5 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 467' ' ' TYR . . . . . 0.515 ' H ' ' C ' ' A' ' 465' ' ' LEU . 0.2 OUTLIER -83.9 -30.64 26.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.369 . . . . 1.0 110.664 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 472' ' ' LYS . 1.1 mt -76.33 -64.37 1.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.657 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . 0.625 ' H ' ' CD2' ' A' ' 469' ' ' LEU . 0.1 OUTLIER -56.09 -12.0 1.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.568 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -87.42 -38.4 16.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.391 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -100.28 -48.81 4.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.65 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . 0.527 ' CD ' ' N ' ' A' ' 472' ' ' LYS . 9.0 mptt -68.07 -90.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.569 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.983 -1.698 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -141.84 -36.2 0.43 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.742 0.306 . . . . 1.0 110.579 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.89 -52.21 65.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.638 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -62.43 -15.85 51.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.699 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -89.64 -44.34 10.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.45 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . 0.45 ' C ' ' H ' ' A' ' 453' ' ' ALA . 14.5 mt -74.27 -53.36 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.481 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . 0.44 ' O ' ' CG2' ' A' ' 452' ' ' ILE . 28.3 mt -55.15 -9.49 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.543 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . 0.45 ' H ' ' C ' ' A' ' 451' ' ' ILE . . . -89.7 -48.64 7.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.588 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 0.41 ' N ' ' CD1' ' A' ' 454' ' ' TYR . 0.9 OUTLIER -119.1 -68.55 0.91 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.654 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -42.42 -28.09 0.55 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 458' ' ' ARG . . . -142.83 40.1 1.28 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.665 -0.974 . . . . 1.0 110.665 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 459' ' ' GLY . 5.6 tt -42.25 -20.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.366 . . . . 1.0 110.594 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . 0.522 ' C ' ' H ' ' A' ' 460' ' ' ALA . 2.5 mpt_? -41.01 -22.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.615 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 457' ' ' LEU . . . -55.72 -5.82 1.0 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.83 -0.908 . . . . 1.0 110.83 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . 0.522 ' H ' ' C ' ' A' ' 458' ' ' ARG . . . -92.74 -23.41 18.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.812 0.339 . . . . 1.0 110.592 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.432 ' N ' ' CD1' ' A' ' 461' ' ' ILE . 1.7 mp -90.16 -39.11 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.579 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -64.24 -30.57 71.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.522 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -84.87 -44.71 12.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.59 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 23.0 m -57.25 -20.76 29.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.577 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.524 ' C ' ' H ' ' A' ' 467' ' ' TYR . 2.1 mp -79.42 -68.47 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.551 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -62.51 1.94 1.39 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.081 -0.808 . . . . 1.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 467' ' ' TYR . . . . . 0.524 ' H ' ' C ' ' A' ' 465' ' ' LEU . 9.9 t80 -77.64 -41.86 36.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.95 0.405 . . . . 1.0 110.657 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.418 ' C ' ' H ' ' A' ' 470' ' ' ASP . 8.6 mt -56.77 -51.96 66.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.688 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . 0.621 ' H ' ' CD2' ' A' ' 469' ' ' LEU . 0.1 OUTLIER -59.54 -8.65 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 1.0 110.254 179.836 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.418 ' H ' ' C ' ' A' ' 468' ' ' LEU . 0.3 OUTLIER -101.53 -36.72 8.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.415 179.834 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . 0.595 ' HZ2' ' CB ' ' A' ' 471' ' ' LYS . 0.0 OUTLIER -81.36 -23.97 37.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.547 179.854 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -74.6 52.65 0.52 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.542 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 120.03 -1.669 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . 0.441 ' C ' ' H ' ' A' ' 449' ' ' GLN . 20.2 ttpt -140.58 -60.9 0.51 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.77 0.319 . . . . 1.0 110.545 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -58.29 -7.3 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.574 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . 0.441 ' H ' ' C ' ' A' ' 447' ' ' LYS . 8.6 mm-40 -89.11 -14.83 35.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.594 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -90.01 -25.31 20.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.623 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . 0.438 ' C ' ' H ' ' A' ' 453' ' ' ALA . 11.6 mt -85.34 -53.38 10.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.544 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 1.3 tt -57.38 -8.5 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.483 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . 0.438 ' H ' ' C ' ' A' ' 451' ' ' ILE . . . -89.99 -34.44 15.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.594 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 0.413 ' O ' ' N ' ' A' ' 456' ' ' GLY . 14.9 m-85 -138.83 -68.34 0.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.608 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -41.26 -27.27 0.23 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.876 -0.89 . . . . 1.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -102.72 -47.59 1.36 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.879 -0.889 . . . . 1.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 14.9 tp -74.19 -66.11 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 1.0 110.335 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . 0.432 ' C ' ' N ' ' A' ' 460' ' ' ALA . 0.9 OUTLIER 69.52 50.04 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.499 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -46.46 -18.59 0.35 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.076 -0.809 . . . . 1.0 111.076 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . 0.432 ' N ' ' C ' ' A' ' 458' ' ' ARG . . . -54.77 -16.61 2.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.791 0.329 . . . . 1.0 110.59 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.484 ' N ' ' CD1' ' A' ' 461' ' ' ILE . 1.5 mp -92.32 -53.55 8.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.541 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -54.85 -40.44 69.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.837 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -38.32 90.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.4 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 464' ' ' SER . . . . . 0.481 ' H ' ' HG ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -70.98 -14.3 62.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.467 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -87.03 -53.34 4.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.485 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -77.16 0.88 66.0 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.065 -0.814 . . . . 1.0 111.065 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 467' ' ' TYR . . . . . 0.411 ' O ' ' N ' ' A' ' 471' ' ' LYS . 6.8 t80 -89.75 -41.44 11.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.705 0.288 . . . . 1.0 110.718 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.5 ' C ' ' H ' ' A' ' 470' ' ' ASP . 9.1 mt -57.3 -74.91 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.811 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -47.3 -13.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.725 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.5 ' H ' ' C ' ' A' ' 468' ' ' LEU . 12.0 t70 -96.81 -29.7 13.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.653 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.0 OUTLIER -91.87 -25.93 18.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.627 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -62.03 -62.62 1.65 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.552 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.39 0 O-C-N 120.096 -1.627 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.23 -69.93 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.82 0.343 . . . . 1.0 110.593 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.68 -23.4 2.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.702 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -69.09 -26.67 65.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.606 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -91.25 -35.01 14.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.059 -0.518 . . . . 1.0 110.543 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 456' ' ' GLY . 15.8 mt -76.78 -54.1 13.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.721 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 2.5 tt -57.46 -14.92 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.595 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . 0.471 ' O ' ' CD1' ' A' ' 454' ' ' TYR . . . -85.75 -23.73 27.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.438 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 0.549 ' C ' ' H ' ' A' ' 456' ' ' GLY . 47.9 m-85 -148.93 -69.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.439 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -49.59 -8.15 0.11 Allowed Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.314 -0.714 . . . . 1.0 111.314 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . 0.549 ' H ' ' C ' ' A' ' 454' ' ' TYR . . . -143.86 37.58 1.42 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.873 -0.891 . . . . 1.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.595 ' C ' ' H ' ' A' ' 459' ' ' GLY . 18.3 tp -144.7 -57.36 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.882 0.372 . . . . 1.0 110.292 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . 0.669 ' HE ' ' N ' ' A' ' 458' ' ' ARG . 0.0 OUTLIER -69.12 25.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.963 -179.724 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . 0.595 ' H ' ' C ' ' A' ' 457' ' ' LEU . . . -83.43 -26.57 42.72 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -100.55 -8.51 22.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.38 . . . . 1.0 110.564 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.543 ' N ' ' CD1' ' A' ' 461' ' ' ILE . 1.7 mp -91.56 -57.26 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.604 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -51.7 -38.31 54.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.685 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -38.44 81.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.473 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 12.3 p -68.95 -12.41 61.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.581 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -86.93 -49.77 7.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.554 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -83.39 0.88 89.46 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.992 -0.843 . . . . 1.0 110.992 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -70.69 -35.14 72.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.794 0.331 . . . . 1.0 110.729 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 472' ' ' LYS . 2.0 mp -66.4 -76.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.768 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 2.0 pp -46.1 -16.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.622 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.471 ' N ' ' C ' ' A' ' 468' ' ' LEU . 3.5 t70 -83.0 -42.66 17.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.574 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -101.53 -47.19 4.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.498 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 468' ' ' LEU . 11.1 mmtp -83.92 -118.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.589 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 120.074 -1.641 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.075 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -145.44 -46.2 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.77 0.319 . . . . 1.0 110.593 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -60.16 -41.18 92.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.67 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -71.08 -14.28 62.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.675 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -91.35 -51.59 5.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.434 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 12.0 mt -50.2 -63.51 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.584 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 7.8 pt -48.69 -38.54 9.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.932 -0.396 . . . . 1.0 109.932 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -53.44 -30.29 39.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 1.0 109.796 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -110.98 19.76 18.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.761 -0.654 . . . . 1.0 110.196 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 39.96 38.74 1.27 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.846 -0.901 . . . . 1.0 110.846 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . 58.38 58.59 13.77 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.824 -0.911 . . . . 1.0 110.824 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 458' ' ' ARG . 2.5 pp -41.84 -38.09 1.43 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.903 -0.406 . . . . 1.0 109.903 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 457' ' ' LEU . 1.2 mpt_? 29.39 68.58 0.09 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.647 -0.706 . . . . 1.0 111.234 179.31 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -133.2 15.21 4.79 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.771 -0.932 . . . . 1.0 110.771 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -134.14 -66.56 0.61 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.728 0.299 . . . . 1.0 110.495 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.423 ' N ' ' CD1' ' A' ' 461' ' ' ILE . 1.7 mp -52.96 -43.85 48.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.448 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -46.4 -33.54 3.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.638 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.62 -26.99 19.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.61 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 30.6 p -65.07 -34.87 79.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.637 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.0 pp -89.91 -23.46 21.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.673 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -89.51 0.33 80.38 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -90.98 -38.35 12.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.878 0.37 . . . . 1.0 110.659 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.469 ' C ' ' H ' ' A' ' 470' ' ' ASP . 8.3 mt -64.95 -77.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.746 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -46.45 -16.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.697 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.469 ' H ' ' C ' ' A' ' 468' ' ' LEU . 0.5 OUTLIER -80.58 -37.17 31.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.492 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -102.94 -52.76 2.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.489 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 9.5 mmtm -85.02 -80.32 0.21 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.541 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 120.023 -1.673 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.05 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -92.35 -35.96 13.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.734 0.302 . . . . 1.0 110.538 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.96 -9.74 59.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.593 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . 0.469 ' CD ' ' N ' ' A' ' 449' ' ' GLN . 18.4 mp0 -89.85 -13.98 35.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.572 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.515 ' CD1' ' O ' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -90.18 -23.36 21.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.517 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 6.1 mt -78.06 -51.92 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.503 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 7.6 tt -50.16 -29.93 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.567 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -64.65 -46.74 81.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.566 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 0.475 ' O ' ' N ' ' A' ' 457' ' ' LEU . 41.9 m-85 -83.75 13.18 4.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.66 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . 0.419 ' C ' ' H ' ' A' ' 457' ' ' LEU . . . 42.2 66.91 0.95 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.786 -0.926 . . . . 1.0 110.786 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . 54.12 11.59 2.42 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.816 -0.914 . . . . 1.0 110.816 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 454' ' ' TYR . 0.6 OUTLIER 61.94 16.22 7.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.942 0.401 . . . . 1.0 110.362 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -88.09 13.81 10.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.423 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -95.65 29.29 9.97 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -140.55 -54.57 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 1.0 110.606 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.41 ' N ' ' CD1' ' A' ' 461' ' ' ILE . 1.7 mp -51.3 -40.58 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.389 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -59.9 -28.48 67.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.544 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 463' ' ' PHE . . . . . 0.581 ' CD1' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -90.78 -46.57 8.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.57 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 464' ' ' SER . . . . . 0.581 ' N ' ' CD1' ' A' ' 463' ' ' PHE . 11.6 p -57.84 -13.7 4.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.634 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.9 mp -89.74 -47.28 8.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.627 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -82.01 0.78 88.17 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.029 -0.828 . . . . 1.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -90.73 -38.45 13.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 1.0 110.728 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 470' ' ' ASP . 8.5 mt -62.66 -77.63 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.8 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -43.9 -19.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.524 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 468' ' ' LEU . 1.3 m-20 -78.08 -39.46 41.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.445 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 468' ' ' LEU . 7.9 mttt -106.84 -55.97 2.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.615 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 468' ' ' LEU . 26.4 mmtt -78.21 -24.52 47.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.536 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.383 0 O-C-N 119.975 -1.703 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -144.74 -36.93 0.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.73 0.3 . . . . 1.0 110.512 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -67.6 -31.48 71.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.594 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -71.01 -15.05 62.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.624 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' ' 450' ' ' PHE . 35.8 m-85 -90.08 -42.33 11.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.561 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 456' ' ' GLY . 16.4 mt -67.41 -56.86 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.631 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 2.9 tt -55.58 -15.5 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.569 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -85.55 -30.46 23.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.658 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 456' ' ' GLY . 70.3 m-85 -140.98 -70.34 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.478 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -41.6 -21.6 0.07 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -102.36 -48.66 1.29 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.508 ' O ' ' N ' ' A' ' 459' ' ' GLY . 15.2 tp -61.71 -64.24 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.35 . . . . 1.0 110.441 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . 0.45 ' C ' ' H ' ' A' ' 460' ' ' ALA . 0.0 OUTLIER -40.69 -22.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.529 -179.875 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 457' ' ' LEU . . . -76.56 38.01 1.43 Allowed Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.048 -0.821 . . . . 1.0 111.048 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . 0.45 ' H ' ' C ' ' A' ' 458' ' ' ARG . . . -139.38 -55.14 0.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.894 0.378 . . . . 1.0 110.594 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.43 ' N ' ' CD1' ' A' ' 461' ' ' ILE . 1.7 mp -54.9 -45.49 75.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.531 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -47.69 -36.7 11.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.601 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.74 -39.32 12.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.61 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 1.1 p -57.33 -35.45 69.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.708 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.463 ' C ' ' CD2' ' A' ' 465' ' ' LEU . 0.0 OUTLIER -90.74 -24.96 20.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 1.0 109.995 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -90.58 2.33 80.26 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -91.25 -39.85 11.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.718 0.294 . . . . 1.0 110.879 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 470' ' ' ASP . 1.5 mt -66.66 -76.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.97 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -45.76 -15.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.635 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 468' ' ' LEU . 26.0 t70 -94.18 -32.03 13.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.511 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 468' ' ' LEU . 11.5 mmmt -123.23 -60.08 1.52 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.535 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . 0.584 ' CG ' ' HN1' ' A' ' 473' ' ' NH2 . 0.5 OUTLIER 42.9 -131.39 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.585 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 473' ' ' NH2 . . . . . 0.584 ' HN1' ' CG ' ' A' ' 472' ' ' LYS . . . . . . . . 0 C--N 1.304 -1.399 0 O-C-N 120.109 -1.62 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 450' ' ' PHE . 6.1 mtmt -92.74 -34.14 14.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.735 0.302 . . . . 1.0 110.476 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.51 -21.5 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.52 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -90.29 -21.8 21.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.55 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 447' ' ' LYS . 0.0 OUTLIER -90.91 -23.0 20.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.565 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . 0.441 ' C ' ' H ' ' A' ' 453' ' ' ALA . 5.5 mt -81.52 -53.38 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.495 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 7.9 tt -51.53 -13.49 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.477 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . 0.441 ' H ' ' C ' ' A' ' 451' ' ' ILE . . . -86.73 -35.98 18.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.544 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 0.408 ' O ' ' N ' ' A' ' 456' ' ' GLY . 26.8 m-85 -138.09 -67.87 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.569 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -41.1 -27.6 0.22 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.029 -0.828 . . . . 1.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -102.16 -57.55 0.81 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 14.9 tp -60.68 -67.92 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.769 0.319 . . . . 1.0 110.372 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . 0.434 ' C ' ' N ' ' A' ' 460' ' ' ALA . 4.2 tpt85 68.47 50.99 0.67 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.521 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -46.67 -17.75 0.3 Allowed Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . 0.434 ' N ' ' C ' ' A' ' 458' ' ' ARG . . . -54.61 -17.58 3.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.679 0.276 . . . . 1.0 110.52 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.476 ' N ' ' CD1' ' A' ' 461' ' ' ILE . 1.5 mp -90.13 -40.49 12.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.477 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -64.01 -31.94 73.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.557 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 463' ' ' PHE . . . . . 0.475 ' CD2' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -80.7 -48.93 11.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.551 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 464' ' ' SER . . . . . 0.475 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 4.3 t -49.6 -38.23 30.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.485 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.512 ' C ' ' H ' ' A' ' 467' ' ' TYR . 3.8 mp -70.06 -65.46 0.72 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.543 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -58.42 -2.5 1.07 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 467' ' ' TYR . . . . . 0.512 ' H ' ' C ' ' A' ' 465' ' ' LEU . 3.4 t80 -91.31 -57.99 2.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.705 0.288 . . . . 1.0 110.739 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.513 ' C ' ' H ' ' A' ' 470' ' ' ASP . 2.0 mt -59.58 -71.96 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.073 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -45.61 -13.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.739 0.305 . . . . 1.0 110.921 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.513 ' H ' ' C ' ' A' ' 468' ' ' LEU . 24.4 t0 -99.08 -29.36 12.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.756 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . 0.604 ' HZ1' ' CB ' ' A' ' 471' ' ' LYS . 0.0 OUTLIER -96.04 -24.97 16.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 1.0 111.109 -179.558 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -77.06 153.19 34.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.51 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.31 0 O-C-N 120.005 -1.685 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . 0.583 ' HZ2' HH12 ' A' ' 458' ' ' ARG . 0.0 OUTLIER -155.06 -70.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.762 0.315 . . . . 1.0 110.532 . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -55.74 -11.73 1.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.567 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -90.22 -17.73 26.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.597 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -90.67 -47.06 7.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.536 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 11.6 mt -53.36 -63.02 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.637 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 19.5 pt -47.79 -24.37 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.498 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -66.9 -42.87 84.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.595 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -91.84 -11.18 37.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.457 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . 0.514 ' C ' ' H ' ' A' ' 457' ' ' LEU . . . 74.46 58.96 4.0 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . 70.9 -39.93 0.53 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.892 -0.883 . . . . 1.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.514 ' H ' ' C ' ' A' ' 455' ' ' GLY . 15.0 tp -41.65 -64.45 0.57 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.812 0.339 . . . . 1.0 110.453 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . 0.583 HH12 ' HZ2' ' A' ' 447' ' ' LYS . 4.6 tpt180 64.78 50.52 2.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.595 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . 0.429 ' C ' ' N ' ' A' ' 461' ' ' ILE . . . -44.51 -26.2 0.98 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -46.16 -19.1 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 1.0 110.582 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.471 ' N ' ' CD1' ' A' ' 461' ' ' ILE . 1.5 mp -90.48 -49.1 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.408 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -56.15 -30.88 62.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.617 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 463' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 467' ' ' TYR . 0.0 OUTLIER -87.13 -47.42 8.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.58 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 464' ' ' SER . . . . . 0.457 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 27.8 t -52.96 -36.61 60.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.566 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.46 ' C ' ' CD2' ' A' ' 465' ' ' LEU . 0.0 OUTLIER -91.0 -24.64 20.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 1.0 109.97 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -91.12 0.08 75.02 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 467' ' ' TYR . . . . . 0.479 ' N ' ' O ' ' A' ' 463' ' ' PHE . 2.6 t80 -90.34 -36.47 14.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.771 0.32 . . . . 1.0 110.655 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.457 ' C ' ' N ' ' A' ' 470' ' ' ASP . 8.2 mt -65.54 -78.49 0.05 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.703 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -45.97 -17.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.637 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.457 ' N ' ' C ' ' A' ' 468' ' ' LEU . 0.7 OUTLIER -79.68 -38.52 33.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.446 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 468' ' ' LEU . 4.1 mmtp -103.71 -47.62 4.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.616 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 468' ' ' LEU . 11.1 mmtm -71.17 47.03 0.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.62 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.002 -1.686 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 10.5 ttpp -150.5 -37.08 0.14 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.861 0.362 . . . . 1.0 110.56 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -75.6 -32.52 60.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.613 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -63.09 -19.35 64.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.555 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -90.8 -29.73 17.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.457 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 13.0 mt -71.35 -59.22 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.575 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 2.0 pp -57.35 -29.75 33.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.522 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -75.49 -18.75 59.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.51 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 0.441 ' O ' ' CD2' ' A' ' 457' ' ' LEU . 0.7 OUTLIER -89.98 -38.44 13.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.567 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 117.71 26.03 2.94 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.84 -0.904 . . . . 1.0 110.84 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . 40.98 34.18 0.77 Allowed Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.985 -0.846 . . . . 1.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 459' ' ' GLY . 0.5 OUTLIER -81.26 -34.25 32.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.751 0.31 . . . . 1.0 110.6 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 41.69 21.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.682 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 457' ' ' LEU . . . -105.0 17.53 44.63 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . 0.416 ' O ' ' OG ' ' A' ' 464' ' ' SER . . . -131.46 -29.63 1.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.793 0.33 . . . . 1.0 110.695 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.545 ' N ' ' CD1' ' A' ' 461' ' ' ILE . 1.7 mp -85.3 -47.93 16.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.41 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -46.76 -29.36 1.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.574 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.48 -36.03 14.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.586 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 464' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 460' ' ' ALA . 33.8 m -57.55 -41.11 80.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.579 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.0 pp -85.95 -23.4 26.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.653 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -90.0 1.06 79.95 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.938 -0.865 . . . . 1.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -91.92 -38.01 12.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.719 0.295 . . . . 1.0 110.648 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 470' ' ' ASP . 8.5 mt -62.82 -79.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.722 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -43.17 -21.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.607 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.2 OUTLIER -73.22 -44.48 59.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.366 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 468' ' ' LEU . 10.5 mmtm -94.8 -48.44 6.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.572 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.54 1.2 3.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.477 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 119.959 -1.713 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -103.15 -43.16 5.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.761 0.315 . . . . 1.0 110.507 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.46 -19.68 27.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.597 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -91.15 -6.72 53.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.601 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.426 ' CD1' ' C ' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -90.89 -35.74 14.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.432 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 456' ' ' GLY . 56.2 mt -65.8 -53.76 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.212 179.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 1.7 mp -52.75 -27.69 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.238 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -70.45 -38.85 74.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.676 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 0.524 ' O ' ' N ' ' A' ' 456' ' ' GLY . 33.3 m-85 -136.98 -67.09 0.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.933 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -43.61 -16.62 0.04 OUTLIER Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.111 -0.796 . . . . 1.0 111.111 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -108.71 -69.29 0.65 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.738 -0.945 . . . . 1.0 110.738 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 459' ' ' GLY . 13.9 tp -56.73 -73.66 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.862 0.363 . . . . 1.0 110.032 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . 0.536 ' NE ' ' O ' ' A' ' 458' ' ' ARG . 0.3 OUTLIER -41.58 -22.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.2 -179.924 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 457' ' ' LEU . . . -70.64 44.16 0.62 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.107 -0.797 . . . . 1.0 111.107 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . 0.443 ' H ' ' C ' ' A' ' 458' ' ' ARG . . . -161.25 -30.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.767 0.318 . . . . 1.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.504 ' N ' ' CD1' ' A' ' 461' ' ' ILE . 1.7 mp -69.1 -45.8 79.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.758 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . 0.493 ' CB ' HH21 ' A' ' 458' ' ' ARG . . . -68.64 -31.81 71.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.794 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 463' ' ' PHE . . . . . 0.562 ' CD1' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -83.64 -41.39 17.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.608 -179.859 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 464' ' ' SER . . . . . 0.562 ' N ' ' CD1' ' A' ' 463' ' ' PHE . 28.0 t -60.0 -24.55 64.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.583 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 1.9 mp -78.01 -63.55 1.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.605 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -62.82 -21.34 63.11 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.01 -0.836 . . . . 1.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -56.82 -31.42 64.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.781 0.324 . . . . 1.0 110.644 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.44 ' C ' ' H ' ' A' ' 470' ' ' ASP . 7.0 mt -71.21 -71.17 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.746 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.68 -8.78 0.62 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.654 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.44 ' H ' ' C ' ' A' ' 468' ' ' LEU . 13.9 t0 -90.86 -37.42 13.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.259 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 17.7 mmtt -102.22 -54.21 2.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.58 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -94.74 -79.39 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.669 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 120.119 -1.613 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -101.4 -36.42 8.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.764 0.316 . . . . 1.0 110.527 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -74.11 -29.08 61.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.55 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -69.21 -4.86 19.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.568 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -91.23 -49.54 6.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.471 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . 0.419 ' C ' ' H ' ' A' ' 453' ' ' ALA . 2.7 mp -65.53 -56.45 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.579 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 2.0 pp -56.69 -10.4 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.498 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . 0.513 ' O ' ' CD1' ' A' ' 454' ' ' TYR . . . -90.47 -33.89 15.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.485 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 0.513 ' CD1' ' O ' ' A' ' 453' ' ' ALA . 13.3 m-85 -138.77 -67.45 0.46 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.743 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -40.62 -27.54 0.17 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.985 -0.846 . . . . 1.0 110.985 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -76.23 -60.15 3.15 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.083 -0.807 . . . . 1.0 111.083 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.503 ' C ' ' H ' ' A' ' 459' ' ' GLY . 1.2 pp -64.69 -25.44 67.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.673 0.273 . . . . 1.0 110.582 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.3 -9.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.409 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . 0.503 ' H ' ' C ' ' A' ' 457' ' ' LEU . . . -54.07 -21.72 18.57 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.033 -0.827 . . . . 1.0 111.033 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -78.86 -16.84 56.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.847 0.356 . . . . 1.0 110.566 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.532 ' N ' ' CD1' ' A' ' 461' ' ' ILE . 1.6 mp -91.28 -54.25 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.434 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -50.68 -38.4 46.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.618 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 463' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 463' ' ' PHE . 0.0 OUTLIER -69.32 -38.6 78.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.337 -179.923 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.35 -16.69 64.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.496 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.497 ' C ' ' H ' ' A' ' 467' ' ' TYR . 2.3 mm? -81.26 -69.14 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.525 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -61.85 0.82 1.48 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 467' ' ' TYR . . . . . 0.497 ' H ' ' C ' ' A' ' 465' ' ' LEU . 2.9 t80 -87.98 -36.28 17.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.818 0.342 . . . . 1.0 110.771 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.5 ' C ' ' H ' ' A' ' 470' ' ' ASP . 8.7 mt -62.35 -72.12 0.14 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.972 -179.618 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 2.0 pp -46.08 -15.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.465 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.5 ' H ' ' C ' ' A' ' 468' ' ' LEU . 1.4 m-20 -94.26 -33.81 13.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.631 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.0 OUTLIER -87.29 -21.58 25.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.651 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -70.8 -28.57 64.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.548 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 120.029 -1.669 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.069 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt -148.94 -36.94 0.17 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.751 0.31 . . . . 1.0 110.518 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -72.5 -19.46 61.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.625 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -84.02 -21.34 31.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.512 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 450' ' ' PHE . 29.6 m-85 -90.79 -38.81 12.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.567 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 454' ' ' TYR . 9.7 mt -52.17 -66.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.552 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 1.8 pp -43.15 -21.06 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.402 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 451' ' ' ILE . . . -78.27 -39.76 39.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.395 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 0.52 ' O ' ' N ' ' A' ' 456' ' ' GLY . 46.2 m-85 -135.37 -63.54 0.67 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.763 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -40.87 -22.15 0.05 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -88.55 -75.27 1.29 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.638 -0.985 . . . . 1.0 110.638 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.449 ' C ' ' CD1' ' A' ' 457' ' ' LEU . 0.3 OUTLIER -52.92 -17.59 1.5 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.083 0.468 . . . . 1.0 109.966 179.779 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.14 38.95 0.52 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.686 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -68.94 -14.23 67.69 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -51.83 -19.77 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 1.0 110.445 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.533 ' N ' ' CD1' ' A' ' 461' ' ' ILE . 1.7 mp -91.45 -53.16 9.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.365 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -50.54 -37.4 39.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.703 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 463' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 463' ' ' PHE . 0.0 OUTLIER -70.72 -37.73 73.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.375 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 44.8 t -68.47 -11.65 60.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.474 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -86.52 -59.29 2.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.578 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -71.68 1.38 30.01 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 111.049 -0.82 . . . . 1.0 111.049 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -90.14 -34.87 15.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.717 0.294 . . . . 1.0 110.675 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 472' ' ' LYS . 8.3 mt -66.51 -76.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.79 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -45.46 -16.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.735 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.47 ' H ' ' C ' ' A' ' 468' ' ' LEU . 5.2 t70 -87.68 -42.99 12.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.54 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 5.9 mmtm -105.21 -52.57 2.81 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.595 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 468' ' ' LEU . 4.3 tptm -54.53 139.33 38.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.578 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.976 -1.702 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -101.25 -41.61 6.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 1.0 110.55 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 449' ' ' GLN . 29.9 p-10 -60.79 -23.78 65.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.628 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . 0.482 ' N ' ' OD1' ' A' ' 448' ' ' ASP . 23.9 mm-40 -90.04 -17.06 28.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.576 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.514 ' CD1' ' O ' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -90.28 -24.37 20.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.524 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 11.3 mt -79.58 -55.05 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.523 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 15.4 tt -52.3 -31.2 14.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.579 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -65.39 -29.79 70.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.533 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -88.06 -18.06 29.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 93.01 21.44 30.45 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.954 -0.859 . . . . 1.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . 41.75 43.28 4.05 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.519 ' C ' ' H ' ' A' ' 459' ' ' GLY . 1.8 pp -71.14 -23.36 62.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.825 0.345 . . . . 1.0 110.593 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . 0.509 ' C ' ' H ' ' A' ' 460' ' ' ALA . 2.1 mpt_? -50.06 -11.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.423 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . 0.519 ' H ' ' C ' ' A' ' 457' ' ' LEU . . . -50.63 -10.16 0.35 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.872 -0.891 . . . . 1.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . 0.509 ' H ' ' C ' ' A' ' 458' ' ' ARG . . . -94.58 -25.82 16.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.885 0.374 . . . . 1.0 110.587 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.471 ' N ' ' CD1' ' A' ' 461' ' ' ILE . 1.6 mp -83.54 -54.2 9.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.566 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -48.9 -30.28 5.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.593 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 463' ' ' PHE . . . . . 0.471 ' O ' ' N ' ' A' ' 467' ' ' TYR . 0.0 OUTLIER -87.7 -41.11 13.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.702 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 43.8 t -59.74 -36.99 77.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.644 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.463 ' C ' ' CD2' ' A' ' 465' ' ' LEU . 0.0 OUTLIER -90.88 -25.31 19.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 1.0 109.87 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -93.05 1.2 70.1 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.895 -0.882 . . . . 1.0 110.895 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 467' ' ' TYR . . . . . 0.471 ' N ' ' O ' ' A' ' 463' ' ' PHE . 9.2 t80 -84.48 -39.83 18.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.69 0.281 . . . . 1.0 110.822 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 472' ' ' LYS . 8.6 mt -62.21 -66.86 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.717 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . 0.578 ' H ' ' CD2' ' A' ' 469' ' ' LEU . 0.0 OUTLIER -50.98 -23.7 3.11 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.686 -179.834 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -75.57 -38.55 59.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.49 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -105.48 -65.03 1.08 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.546 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 468' ' ' LEU . 33.1 mmtm -93.84 88.42 5.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.638 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 120.053 -1.654 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -153.02 -36.84 0.11 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.718 0.294 . . . . 1.0 110.566 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -73.82 -15.08 61.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.589 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -90.28 -20.51 22.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.556 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' A' ' 450' ' ' PHE . 27.1 m-85 -90.7 -27.21 19.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.49 -179.902 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 9.5 mt -64.21 -56.57 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.604 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 5.2 pt -51.89 -39.18 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.56 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -61.03 -39.9 91.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.387 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -78.22 -12.65 60.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.388 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . 0.507 ' C ' ' H ' ' A' ' 457' ' ' LEU . . . 68.45 51.67 30.41 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.817 -0.913 . . . . 1.0 110.817 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . 56.82 4.83 1.07 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.991 -0.843 . . . . 1.0 110.991 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.526 ' C ' ' H ' ' A' ' 459' ' ' GLY . 44.8 tp -67.66 -48.61 66.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.787 0.327 . . . . 1.0 110.408 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.67 -39.05 0.44 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.595 -179.863 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . 0.526 ' H ' ' C ' ' A' ' 457' ' ' LEU . . . 83.34 4.65 89.38 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.719 -0.952 . . . . 1.0 110.719 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -132.36 -33.22 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.742 0.306 . . . . 1.0 110.573 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.408 ' N ' ' CD1' ' A' ' 461' ' ' ILE . 1.5 mp -75.26 -41.85 43.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -55.7 -32.74 63.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.548 -179.921 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 463' ' ' PHE . . . . . 0.438 ' O ' ' N ' ' A' ' 467' ' ' TYR . 0.0 OUTLIER -89.66 -44.59 9.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.653 -179.899 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 464' ' ' SER . . . . . 0.409 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 19.7 t -54.7 -36.43 64.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.635 -179.904 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.462 ' C ' ' CD2' ' A' ' 465' ' ' LEU . 0.0 OUTLIER -90.83 -25.12 20.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 1.0 109.886 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -90.93 1.53 78.1 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.883 -0.887 . . . . 1.0 110.883 179.776 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 467' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 463' ' ' PHE . 0.8 OUTLIER -88.66 -38.03 15.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.778 0.323 . . . . 1.0 110.73 -179.854 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 470' ' ' ASP . 1.5 mp -65.1 -77.79 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.764 -179.878 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -45.15 -17.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.683 -179.844 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 468' ' ' LEU . 4.5 t0 -84.8 -43.64 14.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.386 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 10.0 mmtm -103.65 -60.78 1.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.517 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 34.5 tptt -56.2 107.53 0.37 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.39 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.388 0 O-C-N 120.102 -1.624 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -88.11 -27.91 21.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.769 0.318 . . . . 1.0 110.855 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -98.0 -9.07 26.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.106 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.55 -20.26 22.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.862 -0.608 . . . . 1.0 109.937 179.775 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.515 ' CD1' ' O ' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -86.6 -18.29 31.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.256 179.757 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 13.5 mt -80.3 -49.76 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.356 179.762 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 1.8 pp -53.14 -23.77 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.357 179.776 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -83.26 -22.75 32.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.761 -179.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 0.521 ' O ' ' N ' ' A' ' 456' ' ' GLY . 76.4 m-85 -136.48 -83.11 0.37 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.893 -179.766 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -39.2 -23.39 0.03 OUTLIER Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.18 -0.768 . . . . 1.0 111.18 -179.747 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -102.41 -33.84 4.38 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.523 ' C ' ' H ' ' A' ' 459' ' ' GLY . 15.0 tp -77.43 -74.8 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 1.0 110.422 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . 0.408 ' CB ' ' O ' ' A' ' 457' ' ' LEU . 0.0 OUTLIER 74.46 -33.45 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.543 179.869 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . 0.523 ' H ' ' C ' ' A' ' 457' ' ' LEU . . . 83.01 -21.62 7.76 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -103.59 -23.59 13.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 1.0 110.494 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.429 ' N ' ' CD1' ' A' ' 461' ' ' ILE . 1.5 mp -90.43 -37.1 9.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.346 179.916 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -63.53 -27.82 69.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.648 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 463' ' ' PHE . . . . . 0.591 ' CD2' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -81.13 -51.23 8.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.647 -179.928 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 464' ' ' SER . . . . . 0.591 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 4.1 t -60.44 -13.58 14.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.675 -179.756 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.8 mp -89.82 -53.13 4.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.653 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . 0.415 ' O ' ' OD2' ' A' ' 470' ' ' ASP . . . -81.92 -10.41 84.06 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.037 -0.825 . . . . 1.0 111.037 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 467' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 463' ' ' PHE . 0.2 OUTLIER -53.01 -39.7 63.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.647 0.261 . . . . 1.0 110.874 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 472' ' ' LYS . 1.7 mp -64.63 -71.28 0.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.013 -179.605 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . 0.446 ' H ' ' CD2' ' A' ' 469' ' ' LEU . 0.1 OUTLIER -53.52 -10.78 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.825 -179.652 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.431 ' H ' ' C ' ' A' ' 468' ' ' LEU . 67.1 m-20 -93.81 -34.57 13.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.436 179.84 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 29.6 mmtm -111.61 -52.92 2.75 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.537 179.898 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' A' ' 468' ' ' LEU . 1.1 tmtt? -42.03 -63.11 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.525 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.313 0 O-C-N 120.106 -1.621 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.42 -68.83 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.808 0.337 . . . . 1.0 110.499 . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.92 -26.74 67.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.584 -179.926 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -69.22 -13.68 62.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.614 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -90.11 -42.84 10.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.494 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . 0.435 ' C ' ' H ' ' A' ' 453' ' ' ALA . 10.6 mt -75.03 -51.47 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.495 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . 0.44 ' O ' ' CG2' ' A' ' 452' ' ' ILE . 60.1 mt -56.51 -9.81 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.497 179.869 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . 0.435 ' H ' ' C ' ' A' ' 451' ' ' ILE . . . -90.06 -33.03 16.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.657 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 0.449 ' O ' ' N ' ' A' ' 456' ' ' GLY . 32.4 m-85 -135.92 -74.63 0.44 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.66 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -41.01 -25.27 0.11 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.018 -0.833 . . . . 1.0 111.018 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -103.62 -54.11 0.84 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.522 ' O ' ' N ' ' A' ' 459' ' ' GLY . 14.9 tp -45.47 -66.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.73 0.3 . . . . 1.0 110.373 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . 0.521 ' C ' ' H ' ' A' ' 460' ' ' ALA . 2.4 mpt_? -42.02 -20.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.577 -179.822 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 457' ' ' LEU . . . -73.45 33.6 0.82 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.98 -0.848 . . . . 1.0 110.98 179.885 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . 0.521 ' H ' ' C ' ' A' ' 458' ' ' ARG . . . -136.99 -57.76 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.368 . . . . 1.0 110.608 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.423 ' N ' ' CD1' ' A' ' 461' ' ' ILE . 1.7 mp -51.23 -37.85 18.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.473 179.901 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -62.71 -27.45 69.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.63 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -86.72 -44.11 12.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.568 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 3.2 t -57.59 -24.12 54.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.564 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 4.4 mp -85.12 -44.51 12.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.556 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -78.98 0.61 78.13 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -88.83 -37.68 15.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 1.0 110.55 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.459 ' C ' ' N ' ' A' ' 470' ' ' ASP . 8.3 mt -65.15 -77.1 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.703 -179.778 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 2.0 pp -46.55 -16.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.634 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.459 ' N ' ' C ' ' A' ' 468' ' ' LEU . 0.6 OUTLIER -80.38 -38.17 30.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.535 179.9 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 468' ' ' LEU . 13.6 mmtt -103.46 -59.84 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.58 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm -86.54 71.49 10.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.52 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 120.017 -1.677 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.01 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -148.12 -36.8 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 1.0 110.567 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 448' ' ' ASP . 26.0 t0 -73.28 -18.34 61.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.625 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -78.66 -19.38 52.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.555 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 450' ' ' PHE . 26.6 m-85 -90.62 -30.54 17.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.534 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 456' ' ' GLY . 11.9 mt -66.27 -59.38 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.506 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 6.0 pt -53.3 -13.11 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.596 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . 0.42 ' O ' ' CD1' ' A' ' 454' ' ' TYR . . . -90.73 -24.78 20.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.66 -179.938 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 0.42 ' CD1' ' O ' ' A' ' 453' ' ' ALA . 46.4 m-85 -145.22 -57.66 0.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.748 -179.892 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -60.12 -11.38 18.87 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.088 -0.805 . . . . 1.0 111.088 -179.869 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 451' ' ' ILE . . . -126.92 -10.49 3.86 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.12 -0.792 . . . . 1.0 111.12 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.425 ' C ' ' CD1' ' A' ' 457' ' ' LEU . 0.2 OUTLIER -64.79 -83.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.128 -0.323 . . . . 1.0 110.128 179.733 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . 0.674 ' H ' ' HE ' ' A' ' 458' ' ' ARG . 0.0 OUTLIER 35.1 66.15 0.33 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.364 -0.38 . . . . 1.0 111.156 -179.57 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -102.77 -18.77 14.73 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.747 -0.941 . . . . 1.0 110.747 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -128.02 -7.21 5.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 1.0 110.401 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.426 ' N ' ' CD1' ' A' ' 461' ' ' ILE . 1.7 mp -90.1 -35.58 7.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.521 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -71.34 -29.02 64.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.517 179.917 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 463' ' ' PHE . . . . . 0.583 ' CG ' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -76.53 -55.83 5.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.595 -180.0 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 464' ' ' SER . . . . . 0.583 ' N ' ' CG ' ' A' ' 463' ' ' PHE . 0.5 OUTLIER -54.76 -9.14 0.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.552 179.956 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.48 ' H ' ' C ' ' A' ' 463' ' ' PHE . 1.5 mp -88.86 -63.57 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.556 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -70.35 1.41 19.93 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -90.59 -34.82 15.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.703 0.287 . . . . 1.0 110.687 -179.81 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 470' ' ' ASP . 8.3 mt -66.44 -77.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.915 -179.708 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.5 -16.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.786 -179.844 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 468' ' ' LEU . 3.9 t70 -87.08 -42.59 12.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.511 179.864 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 472' ' ' LYS . 15.7 mmtt -104.64 -59.31 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.524 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 471' ' ' LYS . 0.1 OUTLIER 39.77 94.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.822 179.866 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.378 0 O-C-N 119.97 -1.706 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -144.19 -36.6 0.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.776 0.322 . . . . 1.0 110.592 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -73.12 -12.36 60.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.627 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -88.94 -21.97 23.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.616 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' A' ' 450' ' ' PHE . 26.0 m-85 -91.09 -34.87 14.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.53 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 11.1 mt -63.96 -50.18 78.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.584 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 12.0 pt -45.53 -32.79 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.228 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . 0.517 ' O ' ' CD1' ' A' ' 454' ' ' TYR . . . -84.81 -37.67 20.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.223 179.72 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 0.517 ' CD1' ' O ' ' A' ' 453' ' ' ALA . 21.3 m-85 -140.86 92.32 2.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.57 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 136.14 -18.05 3.78 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . -120.36 11.44 10.54 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.054 -0.819 . . . . 1.0 111.054 179.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.655 ' N ' ' HE ' ' A' ' 458' ' ' ARG . 1.1 pp -108.87 -28.85 8.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.628 0.252 . . . . 1.0 110.577 -179.87 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . 0.655 ' HE ' ' N ' ' A' ' 457' ' ' LEU . 0.0 OUTLIER -70.42 -7.2 41.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.437 -179.929 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . 0.465 ' N ' ' CZ ' ' A' ' 458' ' ' ARG . . . -125.26 16.29 7.17 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.837 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -102.99 -28.63 11.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.771 0.32 . . . . 1.0 110.605 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.539 ' N ' ' CD1' ' A' ' 461' ' ' ILE . 1.7 mp -89.63 -50.27 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.417 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -47.04 -29.29 2.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.397 179.826 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -91.06 -31.59 16.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.606 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 19.2 t -63.01 -38.46 91.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.758 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 1.9 pp -89.12 -23.48 22.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.675 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -90.11 1.03 79.6 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.966 -0.854 . . . . 1.0 110.966 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -92.03 -38.48 12.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.866 0.365 . . . . 1.0 110.743 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 470' ' ' ASP . 8.5 mt -61.92 -79.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.734 -179.674 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -43.64 -20.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.597 -179.871 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.5 OUTLIER -74.17 -44.47 53.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.486 179.941 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 468' ' ' LEU . 18.4 mmtt -94.44 -50.29 5.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.599 179.88 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.18 -74.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.556 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 120.047 -1.658 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 450' ' ' PHE . 0.2 OUTLIER -133.52 -71.83 0.51 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.762 0.315 . . . . 1.0 110.559 . . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.54 -25.55 2.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.547 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -90.25 -18.03 26.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.616 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.445 ' N ' ' O ' ' A' ' 447' ' ' LYS . 0.0 OUTLIER -90.33 -41.19 11.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.632 179.945 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 454' ' ' TYR . 5.4 mt -52.13 -65.86 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.534 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 6.8 pt -44.78 -22.02 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.426 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 451' ' ' ILE . . . -77.82 -37.29 48.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.521 179.842 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 0.491 ' C ' ' H ' ' A' ' 456' ' ' GLY . 63.0 m-85 -135.57 -62.22 0.7 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.718 -179.95 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -47.27 -14.16 0.16 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' A' ' 454' ' ' TYR . . . -135.57 33.03 2.47 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.877 -0.889 . . . . 1.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.676 ' N ' ' HE ' ' A' ' 458' ' ' ARG . 51.6 tp -107.83 -35.1 6.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.636 0.255 . . . . 1.0 110.407 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . 0.676 ' HE ' ' N ' ' A' ' 457' ' ' LEU . 0.0 OUTLIER -40.52 -22.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 1.0 111.016 -179.737 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . 0.649 ' H ' ' NE ' ' A' ' 458' ' ' ARG . . . -69.34 5.92 4.82 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.026 -0.829 . . . . 1.0 111.026 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . 0.457 ' H ' ' C ' ' A' ' 458' ' ' ARG . . . -129.88 -7.58 4.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.728 0.299 . . . . 1.0 110.682 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.412 ' N ' ' CD1' ' A' ' 461' ' ' ILE . 1.7 mp -90.68 -57.7 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.53 179.881 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -48.64 -28.79 3.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.704 -179.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 463' ' ' PHE . . . . . 0.482 ' CD2' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -89.49 -49.88 6.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.615 -179.926 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 464' ' ' SER . . . . . 0.482 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 27.9 t -52.77 -33.68 49.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.525 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.46 ' CD2' ' C ' ' A' ' 465' ' ' LEU . 0.0 OUTLIER -90.87 -25.46 19.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 1.0 109.874 179.954 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -91.85 0.01 72.56 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 179.813 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 467' ' ' TYR . . . . . 0.471 ' N ' ' O ' ' A' ' 463' ' ' PHE . 1.6 t80 -91.08 -32.29 15.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.677 0.275 . . . . 1.0 110.556 -179.841 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 471' ' ' LYS . 7.1 mt -71.82 -78.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.707 -179.669 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -45.05 -17.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.685 -179.854 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 468' ' ' LEU . 2.0 t70 -81.04 -35.22 32.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.476 179.905 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 468' ' ' LEU . 24.7 mmtp -109.31 -60.43 1.77 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.473 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 13.2 mmtm -79.95 174.98 11.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.599 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 120.039 -1.663 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.175 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 14.8 mtmt -138.1 -35.44 0.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 1.0 110.576 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . 0.415 ' O ' ' CG2' ' A' ' 452' ' ' ILE . 65.6 m-20 -76.47 -24.31 53.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.695 -179.895 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -79.42 -24.52 42.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.539 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -91.01 -47.06 7.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.43 179.858 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 14.4 mt -60.77 -54.83 29.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.476 179.881 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . 0.422 ' CG2' ' N ' ' A' ' 453' ' ' ALA . 9.3 tt -55.83 -37.27 46.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.424 179.894 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . 0.422 ' N ' ' CG2' ' A' ' 452' ' ' ILE . . . -66.16 -23.73 66.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.372 179.895 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -83.87 -42.76 16.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.551 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 120.81 23.32 2.8 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.826 -0.91 . . . . 1.0 110.826 179.889 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . 47.19 23.94 2.0 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.046 -0.822 . . . . 1.0 111.046 179.92 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 459' ' ' GLY . 0.5 OUTLIER -71.28 -35.79 71.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.757 0.313 . . . . 1.0 110.479 179.912 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 45.01 16.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.579 179.8 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 457' ' ' LEU . . . -81.7 -27.0 48.52 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -85.59 -19.06 31.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.873 0.368 . . . . 1.0 110.541 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.43 ' N ' ' CD1' ' A' ' 461' ' ' ILE . 1.7 mp -84.19 -48.38 16.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.596 179.916 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -58.7 -30.23 67.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.572 179.868 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 463' ' ' PHE . . . . . 0.49 ' CD2' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -88.29 -47.77 8.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.601 179.965 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 464' ' ' SER . . . . . 0.49 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 13.6 t -51.55 -37.08 47.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.59 -179.914 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.467 ' C ' ' CD2' ' A' ' 465' ' ' LEU . 0.0 OUTLIER -90.95 -25.29 19.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.289 -0.414 . . . . 1.0 109.986 -179.995 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -91.11 2.47 79.11 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.869 -0.892 . . . . 1.0 110.869 179.76 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 467' ' ' TYR . . . . . 0.476 ' N ' ' O ' ' A' ' 463' ' ' PHE . 0.3 OUTLIER -88.99 -45.74 9.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.753 0.311 . . . . 1.0 110.953 -179.711 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.498 ' C ' ' H ' ' A' ' 470' ' ' ASP . 1.2 mt -58.33 -75.86 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.841 -179.765 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -47.62 -12.64 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.81 -179.739 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.498 ' H ' ' C ' ' A' ' 468' ' ' LEU . 14.6 t70 -96.97 -31.47 12.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.583 179.9 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.0 OUTLIER -88.56 -25.98 22.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.567 -179.916 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -67.61 -111.92 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.537 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.307 0 O-C-N 119.917 -1.739 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -141.41 -38.19 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.776 0.322 . . . . 1.0 110.538 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.75 -21.94 34.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.524 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -89.96 -14.25 34.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.593 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.452 ' CD1' ' O ' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -89.97 -24.48 21.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.596 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 43.2 mt -73.41 -59.03 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.569 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 23.0 pt -54.19 -13.77 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.571 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -87.42 -25.81 23.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.514 -179.913 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 456' ' ' GLY . 82.2 m-85 -145.05 -68.3 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.545 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -41.28 -27.34 0.24 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -101.78 -50.61 1.16 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.005 -0.838 . . . . 1.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.524 ' C ' ' H ' ' A' ' 459' ' ' GLY . 14.9 tp -79.19 -75.3 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.822 0.344 . . . . 1.0 110.335 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 5.8 tpt85 73.47 -36.4 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.578 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . 0.524 ' H ' ' C ' ' A' ' 457' ' ' LEU . . . 92.44 -7.98 77.47 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -124.36 -21.61 4.9 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.888 0.375 . . . . 1.0 110.595 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.431 ' N ' ' CD1' ' A' ' 461' ' ' ILE . 1.5 mp -90.3 -33.64 6.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.332 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -79.5 -27.22 41.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.565 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 463' ' ' PHE . . . . . 0.599 ' CD2' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -79.95 -50.27 10.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.501 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 464' ' ' SER . . . . . 0.599 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 4.7 t -58.63 -14.23 7.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.553 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 1.6 mp -89.96 -45.09 9.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.527 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -84.62 1.2 89.03 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -90.81 -35.73 14.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.334 . . . . 1.0 110.756 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 470' ' ' ASP . 8.5 mt -65.03 -77.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.677 -179.726 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -43.95 -19.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.587 -179.819 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.6 OUTLIER -78.07 -40.56 38.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.49 -179.987 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 468' ' ' LEU . 10.3 mmtm -103.89 -47.34 4.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.52 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.2 OUTLIER -72.71 -54.49 8.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.501 -179.944 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.324 0 O-C-N 120.027 -1.67 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . 0.497 ' C ' ' H ' ' A' ' 449' ' ' GLN . 21.6 ttpt -137.65 -66.45 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 1.0 110.588 . . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.55 -13.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.799 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . 0.497 ' H ' ' C ' ' A' ' 447' ' ' LYS . 45.3 mt-30 -88.64 -31.13 18.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.937 -179.667 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.406 ' N ' ' O ' ' A' ' 447' ' ' LYS . 36.7 m-85 -75.1 -19.16 60.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.34 179.941 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . 0.412 HD12 HG21 ' A' ' 451' ' ' ILE . 18.4 mm -67.87 -65.75 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.746 -0.661 . . . . 1.0 110.429 179.819 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 13.7 pt -45.84 -28.06 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.196 179.757 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -61.12 -39.32 89.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.338 179.716 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -103.21 -15.71 15.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.296 179.831 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 457' ' ' LEU . . . 79.91 67.6 1.56 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.18 -0.768 . . . . 1.0 111.18 179.736 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . 41.51 20.96 0.05 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.525 ' C ' ' H ' ' A' ' 459' ' ' GLY . 14.6 tp -95.21 -65.09 1.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.911 0.386 . . . . 1.0 110.191 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.32 -38.21 0.41 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.651 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . 0.525 ' H ' ' C ' ' A' ' 457' ' ' LEU . . . 84.76 -13.42 53.18 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.801 -0.92 . . . . 1.0 110.801 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -113.96 -25.28 8.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.762 0.315 . . . . 1.0 110.55 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.461 ' N ' ' CD1' ' A' ' 461' ' ' ILE . 1.5 mp -90.67 -33.44 5.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.524 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -79.45 -27.28 41.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.592 179.874 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 463' ' ' PHE . . . . . 0.599 ' CD2' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -80.14 -51.48 8.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.578 -179.951 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 464' ' ' SER . . . . . 0.599 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 32.5 m -55.42 -19.62 9.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.601 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 1.8 mp -86.96 -51.16 6.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.562 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -77.02 0.58 66.25 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.883 -0.887 . . . . 1.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -89.63 -38.06 14.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 1.0 110.651 -179.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.451 ' C ' ' N ' ' A' ' 470' ' ' ASP . 8.3 mt -65.18 -76.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.654 -179.788 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -46.92 -16.66 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.659 -179.913 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.451 ' N ' ' C ' ' A' ' 468' ' ' LEU . 0.8 OUTLIER -80.22 -37.9 32.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.546 179.912 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 468' ' ' LEU . 6.4 mttm -103.01 -48.24 4.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.549 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 7.9 mmtm -84.92 82.27 8.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.54 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 120.02 -1.675 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -143.35 -36.79 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.834 0.349 . . . . 1.0 110.659 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.13 -44.41 87.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.631 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -72.77 -14.52 61.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.545 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 450' ' ' PHE . 33.9 m-85 -88.08 -34.1 18.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.652 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . 0.444 ' C ' ' H ' ' A' ' 453' ' ' ALA . 15.7 mt -72.81 -56.87 8.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.532 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 4.0 tt -55.24 -9.33 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.582 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . 0.444 ' H ' ' C ' ' A' ' 451' ' ' ILE . . . -90.04 -34.73 15.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.608 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 458' ' ' ARG . 57.6 m-85 -136.84 -66.36 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.664 179.948 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -41.25 -27.95 0.27 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . -104.85 -26.48 6.37 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 179.918 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.533 ' C ' ' H ' ' A' ' 459' ' ' GLY . 42.6 tp -96.69 -57.17 2.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.755 0.312 . . . . 1.0 110.405 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 454' ' ' TYR . 0.0 OUTLIER 72.58 -35.94 0.34 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.603 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . 0.533 ' H ' ' C ' ' A' ' 457' ' ' LEU . . . 79.17 -19.66 5.34 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 179.858 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . 0.414 ' H ' ' C ' ' A' ' 458' ' ' ARG . . . -101.97 -20.96 14.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.927 0.394 . . . . 1.0 110.626 179.909 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 1.4 mp -90.86 -42.24 13.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -59.39 -33.16 70.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.528 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 463' ' ' PHE . . . . . 0.58 ' CD2' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -76.54 -48.15 20.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.619 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 464' ' ' SER . . . . . 0.58 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 83.5 p -57.25 -14.25 4.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.571 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.9 mp -90.02 -47.31 7.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.552 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -83.25 1.03 89.37 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.008 -0.837 . . . . 1.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -90.65 -35.96 14.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.851 0.358 . . . . 1.0 110.69 -179.836 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 472' ' ' LYS . 8.5 mt -64.69 -76.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.771 -179.676 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 2.0 pp -44.13 -19.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.585 -179.798 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.8 OUTLIER -78.73 -40.64 32.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.528 179.948 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 468' ' ' LEU . 19.8 mttt -104.32 -47.6 4.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.532 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 468' ' ' LEU . 9.4 mmmt -89.64 139.42 30.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.618 179.928 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 120.117 -1.614 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.06 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . 0.479 ' C ' ' H ' ' A' ' 449' ' ' GLN . 0.4 OUTLIER -160.45 -69.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.351 . . . . 1.0 110.359 . . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.69 -8.89 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.627 -179.836 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . 0.479 ' H ' ' C ' ' A' ' 447' ' ' LYS . 7.5 mt-30 -90.36 -21.05 22.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.559 -179.948 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 450' ' ' PHE . 30.3 m-85 -90.79 -35.0 15.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.6 179.947 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 456' ' ' GLY . 14.1 mt -58.8 -50.93 77.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.63 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 11.4 pt -57.83 -15.8 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.545 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -84.03 -32.19 25.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.64 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 0.511 ' O ' ' N ' ' A' ' 456' ' ' GLY . 76.4 m-85 -139.42 -69.63 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.575 179.937 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -41.46 -21.39 0.06 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.966 -0.853 . . . . 1.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -96.63 -36.21 5.15 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.022 -0.831 . . . . 1.0 111.022 179.893 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 459' ' ' GLY . 15.1 tp -77.93 -66.27 0.86 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.797 0.332 . . . . 1.0 110.336 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . 0.506 ' C ' ' H ' ' A' ' 460' ' ' ALA . 2.4 mpt_? -41.33 -21.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.678 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 457' ' ' LEU . . . -48.51 -12.74 0.21 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.896 -0.882 . . . . 1.0 110.896 179.859 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 458' ' ' ARG . . . -94.93 -65.49 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 1.0 110.562 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.405 ' N ' ' CD1' ' A' ' 461' ' ' ILE . 1.7 mp -49.93 -37.72 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.369 179.928 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -58.72 -29.24 66.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.613 180.0 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 463' ' ' PHE . . . . . 0.443 ' CG ' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -82.73 -46.68 12.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.443 179.989 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 464' ' ' SER . . . . . 0.443 ' N ' ' CG ' ' A' ' 463' ' ' PHE . 46.7 m -51.5 -38.11 52.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.662 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.518 ' C ' ' H ' ' A' ' 467' ' ' TYR . 7.6 mp -72.9 -60.2 2.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.586 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -62.36 0.98 1.68 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 467' ' ' TYR . . . . . 0.518 ' H ' ' C ' ' A' ' 465' ' ' LEU . 1.2 t80 -91.75 -40.2 11.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.712 0.292 . . . . 1.0 110.671 -179.843 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 472' ' ' LYS . 2.2 mt -74.08 -70.83 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.941 -179.799 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.25 -11.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.842 -179.759 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.514 ' H ' ' C ' ' A' ' 468' ' ' LEU . 23.2 t0 -102.47 -45.74 4.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.644 179.875 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 29.7 mmtt -102.41 20.27 17.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.623 -179.876 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 468' ' ' LEU . 13.3 tptt -146.66 58.37 1.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.551 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 120.027 -1.67 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -101.0 -48.08 4.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 1.0 110.585 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.84 -13.2 1.65 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.582 179.95 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -90.03 -16.19 30.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.634 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.26 -26.49 20.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.537 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 455' ' ' GLY . 10.0 mt -64.11 -64.69 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.445 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 1.8 pp -49.09 -25.48 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.338 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -80.58 -32.61 36.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.482 179.738 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 0.5 ' O ' ' N ' ' A' ' 456' ' ' GLY . 59.1 m-85 -132.37 -65.8 0.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.76 179.931 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 451' ' ' ILE . . . -45.4 -14.7 0.07 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.029 -0.828 . . . . 1.0 111.029 -179.942 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -66.15 -32.64 82.9 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.499 ' C ' ' H ' ' A' ' 459' ' ' GLY . 1.9 pp -78.42 -23.83 46.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.814 0.34 . . . . 1.0 110.651 -179.951 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . 0.415 ' C ' ' H ' ' A' ' 460' ' ' ALA . 0.3 OUTLIER -62.27 -0.04 0.5 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.401 -179.994 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . 0.499 ' H ' ' C ' ' A' ' 457' ' ' LEU . . . -56.71 -9.51 3.7 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.009 -0.836 . . . . 1.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . 0.415 ' H ' ' C ' ' A' ' 458' ' ' ARG . . . -102.27 -12.87 17.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.738 0.304 . . . . 1.0 110.582 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.478 ' N ' ' CD1' ' A' ' 461' ' ' ILE . 1.5 mp -89.39 -33.75 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.498 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -76.01 -27.28 57.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.546 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 463' ' ' PHE . . . . . 0.6 ' CD2' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -80.74 -48.85 11.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.528 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 464' ' ' SER . . . . . 0.6 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 23.0 t -54.58 -34.98 62.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.528 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 6.0 mp -77.56 -44.87 27.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -79.79 0.56 81.87 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.991 -0.844 . . . . 1.0 110.991 -179.938 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -89.38 -37.93 14.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.739 0.304 . . . . 1.0 110.547 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.458 ' C ' ' N ' ' A' ' 470' ' ' ASP . 8.3 mt -65.21 -76.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.562 -179.72 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -46.66 -16.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.721 -179.931 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.458 ' N ' ' C ' ' A' ' 468' ' ' LEU . 0.5 OUTLIER -80.17 -38.17 31.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.462 179.959 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -102.85 -57.73 2.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.558 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 10.8 mmtm -84.6 177.91 7.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.491 -179.904 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.378 0 O-C-N 120.051 -1.655 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 446' ' ' ACE . . . . . 0.412 ' O ' ' CD1' ' A' ' 450' ' ' PHE . . . . . . . . 0 C--O 1.232 0.158 . . . . . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 20.4 mtmm -138.78 -36.08 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 1.0 110.462 . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.71 -27.16 69.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.493 -179.945 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -89.57 -14.01 36.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.566 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.412 ' CD1' ' O ' ' A' ' 446' ' ' ACE . 56.4 m-85 -89.96 -39.55 12.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.535 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . 0.433 ' C ' ' H ' ' A' ' 453' ' ' ALA . 12.3 mt -73.35 -54.63 15.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.551 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 6.5 tt -55.56 -9.98 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.576 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . 0.433 ' H ' ' C ' ' A' ' 451' ' ' ILE . . . -90.04 -31.13 17.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.618 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 0.445 ' O ' ' N ' ' A' ' 456' ' ' GLY . 57.8 m-85 -139.19 -72.6 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.621 179.883 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -41.04 -25.66 0.13 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 -180.0 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -101.92 -45.6 1.73 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.892 -0.883 . . . . 1.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.519 ' C ' ' H ' ' A' ' 459' ' ' GLY . 15.0 tp -78.15 -75.07 0.24 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.896 0.379 . . . . 1.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.18 -37.29 0.38 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.555 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . 0.519 ' H ' ' C ' ' A' ' 457' ' ' LEU . . . 88.96 -6.52 83.61 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.929 -0.868 . . . . 1.0 110.929 179.947 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -125.54 -22.54 4.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.769 0.318 . . . . 1.0 110.642 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.455 ' N ' ' CD1' ' A' ' 461' ' ' ILE . 1.5 mp -91.64 -51.8 11.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.454 179.913 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -45.98 -39.86 9.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.71 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 463' ' ' PHE . . . . . 0.406 ' CD1' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -70.6 -35.58 73.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.406 -179.979 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 464' ' ' SER . . . . . 0.406 ' N ' ' CD1' ' A' ' 463' ' ' PHE . 55.2 p -72.19 -7.68 50.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.582 179.885 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -90.29 -54.36 4.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.591 -179.916 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -79.12 -19.7 71.72 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.066 -0.814 . . . . 1.0 111.066 -179.948 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -49.04 -29.64 5.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.789 0.328 . . . . 1.0 110.574 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 472' ' ' LYS . 1.1 mp -76.46 -69.21 0.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.755 -179.846 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 2.0 pp -60.35 -6.48 1.54 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.637 -179.813 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 468' ' ' LEU . 9.2 t70 -95.92 -33.59 12.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.519 179.897 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -105.65 -49.32 3.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.544 179.891 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.5 OUTLIER -73.21 -91.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.61 179.971 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 120.106 -1.621 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -102.04 -43.64 5.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.829 0.347 . . . . 1.0 110.549 . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -57.53 -14.04 4.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.599 179.966 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -87.91 -8.87 55.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.477 -179.969 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.67 -47.05 7.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.445 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 454' ' ' TYR . 2.7 mp -64.67 -57.02 13.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.676 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 20.0 tt -47.11 -30.1 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.37 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -72.35 -33.94 67.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.391 179.842 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 0.616 ' CE2' ' NH2' ' A' ' 458' ' ' ARG . 4.1 m-85 -76.78 -55.19 5.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.456 179.901 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 135.48 35.87 0.22 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . 41.25 28.56 0.3 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 179.938 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.472 ' C ' ' N ' ' A' ' 459' ' ' GLY . 1.6 pp -79.64 -25.7 41.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.725 0.298 . . . . 1.0 110.576 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . 0.616 ' NH2' ' CE2' ' A' ' 454' ' ' TYR . 0.6 OUTLIER -45.65 -17.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.448 179.89 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . 0.472 ' N ' ' C ' ' A' ' 457' ' ' LEU . . . -41.05 -31.84 0.52 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -64.92 -66.1 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.889 0.376 . . . . 1.0 110.522 179.899 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.432 ' N ' ' CD1' ' A' ' 461' ' ' ILE . 1.7 mp -55.58 -48.81 77.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.275 179.883 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -45.57 -35.1 3.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.672 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.45 -26.11 20.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.576 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 4.9 t -66.24 -35.27 79.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.607 -179.94 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.0 pp -89.97 -23.95 21.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.633 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . 0.425 ' O ' ' OD2' ' A' ' 470' ' ' ASP . . . -91.02 1.42 77.65 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -90.21 -39.1 13.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.749 0.309 . . . . 1.0 110.776 -179.78 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.88 -69.13 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.81 -179.592 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . 0.602 ' H ' ' CD2' ' A' ' 469' ' ' LEU . 0.0 OUTLIER -49.57 -21.77 1.08 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.42 -179.855 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.425 ' OD2' ' O ' ' A' ' 466' ' ' GLY . 0.4 OUTLIER -77.63 -37.23 50.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.474 179.932 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 13.9 mttm -112.36 -70.37 0.81 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.602 -179.994 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -72.93 -3.32 25.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.587 179.968 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 119.965 -1.709 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.48 -57.26 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.713 0.292 . . . . 1.0 110.301 . . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.52 -14.22 62.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.547 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -89.45 -12.27 40.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.552 -179.955 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.506 ' CD1' ' O ' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -86.5 -18.8 30.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.493 -179.938 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 29.9 mt -78.16 -57.42 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.491 -179.962 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 9.8 pt -54.93 -12.25 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.547 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . 0.403 ' O ' ' CD1' ' A' ' 454' ' ' TYR . . . -88.5 -21.87 23.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.598 -179.978 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 0.403 ' CD1' ' O ' ' A' ' 453' ' ' ALA . 64.1 m-85 -150.33 -65.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.621 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -46.34 -23.44 1.25 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . -98.38 -33.36 5.69 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.891 -0.884 . . . . 1.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.516 ' C ' ' H ' ' A' ' 459' ' ' GLY . 14.9 tp -84.2 -72.95 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.817 0.341 . . . . 1.0 110.301 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . 0.425 ' CB ' ' O ' ' A' ' 457' ' ' LEU . 0.1 OUTLIER 75.37 -32.25 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.566 -179.924 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . 0.516 ' H ' ' C ' ' A' ' 457' ' ' LEU . . . 86.95 8.22 76.31 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.871 -0.892 . . . . 1.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -143.34 -37.26 0.35 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.815 0.34 . . . . 1.0 110.489 179.985 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.452 ' N ' ' CD1' ' A' ' 461' ' ' ILE . 1.5 mp -73.84 -34.89 41.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.329 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -69.7 -26.87 64.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.643 179.92 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 463' ' ' PHE . . . . . 0.453 ' CD2' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -89.73 -46.33 8.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.531 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 464' ' ' SER . . . . . 0.453 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 3.9 t -58.08 -15.71 10.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.661 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.3 mp -88.07 -51.36 5.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.603 179.975 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -77.41 0.24 69.8 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -89.8 -38.3 13.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 1.0 110.617 -179.996 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.456 ' C ' ' H ' ' A' ' 470' ' ' ASP . 8.3 mt -65.02 -76.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.709 -179.84 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.8 pp -46.82 -16.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.555 -179.921 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.456 ' H ' ' C ' ' A' ' 468' ' ' LEU . 0.9 OUTLIER -81.13 -38.6 26.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.523 179.944 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 468' ' ' LEU . 8.1 mttm -103.42 -54.92 2.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.563 -179.984 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.69 -66.76 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.555 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 119.947 -1.72 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.88 -68.42 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.802 0.334 . . . . 1.0 110.5 . . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.65 -29.51 70.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.629 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -66.53 -18.1 65.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.602 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -91.29 -49.21 6.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.436 -179.985 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 12.1 mt -54.47 -62.02 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.553 -179.969 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 2.0 pp -49.82 -22.52 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.419 179.957 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -67.65 -40.48 84.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.503 179.901 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -94.62 -10.62 31.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.438 179.903 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . 0.527 ' C ' ' H ' ' A' ' 457' ' ' LEU . . . 74.42 55.34 5.63 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 179.874 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . 71.81 -37.7 0.62 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.912 -0.875 . . . . 1.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.527 ' H ' ' C ' ' A' ' 455' ' ' GLY . 14.8 tp -41.02 -63.52 0.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.77 0.319 . . . . 1.0 110.422 179.969 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 460' ' ' ALA . 1.3 tpp85 73.05 47.49 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.418 -179.893 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -40.72 -26.34 0.13 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.915 -0.874 . . . . 1.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 458' ' ' ARG . . . -46.71 -27.03 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.811 0.339 . . . . 1.0 110.487 -179.956 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.52 ' N ' ' CD1' ' A' ' 461' ' ' ILE . 1.6 mp -90.53 -50.7 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.284 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -47.86 -29.49 3.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.448 179.905 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.27 -32.51 16.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.649 -179.966 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 22.8 t -63.04 -38.83 92.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.695 -179.938 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.0 pp -87.57 -23.5 24.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.663 -179.857 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . 0.422 ' O ' ' OD2' ' A' ' 470' ' ' ASP . . . -90.26 2.15 80.76 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.919 -0.872 . . . . 1.0 110.919 179.925 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -92.14 -40.05 11.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.676 0.274 . . . . 1.0 110.591 -179.966 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 470' ' ' ASP . 8.4 mt -59.32 -77.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.718 -179.652 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -44.2 -19.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.51 -179.764 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.2 OUTLIER -74.64 -47.51 31.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.365 179.744 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -89.83 -43.07 10.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.526 179.859 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -93.6 21.8 6.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.628 179.938 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 120.044 -1.66 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.32 -57.08 2.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.739 0.304 . . . . 1.0 110.372 . . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.05 -14.02 51.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.566 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -90.04 -14.62 33.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.595 179.962 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.523 ' CD1' ' O ' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -84.94 -16.13 42.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.53 -179.922 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 42.0 mt -83.18 -56.28 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.593 179.981 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 1.7 pp -56.48 -13.12 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.522 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -88.8 -29.62 19.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.584 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 456' ' ' GLY . 82.0 m-85 -139.21 -69.14 0.43 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.54 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -41.51 -22.37 0.08 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 179.937 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -99.1 -48.22 1.76 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.926 -0.869 . . . . 1.0 110.926 -179.944 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 459' ' ' GLY . 15.0 tp -60.66 -63.5 1.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.789 0.328 . . . . 1.0 110.399 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . 0.525 ' C ' ' H ' ' A' ' 460' ' ' ALA . 2.5 mpt_? -45.63 -14.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.699 -179.859 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 457' ' ' LEU . . . -74.3 30.86 0.98 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 179.906 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . 0.525 ' H ' ' C ' ' A' ' 458' ' ' ARG . . . -135.72 -60.78 0.73 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.819 0.343 . . . . 1.0 110.525 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.413 ' N ' ' CD1' ' A' ' 461' ' ' ILE . 1.7 mp -52.03 -35.87 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.445 179.94 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -64.66 -27.45 68.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.591 179.977 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 463' ' ' PHE . . . . . 0.61 ' CD2' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -89.15 -50.22 6.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.548 -179.976 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 464' ' ' SER . . . . . 0.61 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 66.1 m -51.86 -15.96 0.61 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.56 -179.94 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.444 ' C ' ' H ' ' A' ' 467' ' ' TYR . 3.6 mp -87.65 -65.52 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.573 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -65.52 1.49 4.12 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.019 -0.832 . . . . 1.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 467' ' ' TYR . . . . . 0.444 ' H ' ' C ' ' A' ' 465' ' ' LEU . 8.2 t80 -91.35 -39.09 12.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.686 0.279 . . . . 1.0 110.75 -179.919 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 470' ' ' ASP . 8.5 mt -62.94 -77.21 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.649 -179.826 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -44.72 -19.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.591 -179.87 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.9 OUTLIER -76.84 -38.44 53.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.347 179.796 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 468' ' ' LEU . 26.7 mmtm -102.72 -61.34 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.592 179.865 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -92.0 173.87 7.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.594 179.905 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.383 0 O-C-N 119.996 -1.69 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 446' ' ' ACE . . . . . 0.49 ' O ' ' CD1' ' A' ' 450' ' ' PHE . . . . . . . . 0 C--O 1.231 0.082 . . . . . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -133.13 -49.07 0.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.751 0.31 . . . . 1.0 110.484 . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.97 -23.27 12.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.658 -179.943 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -90.07 -20.64 22.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.66 179.95 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.49 ' CD1' ' O ' ' A' ' 446' ' ' ACE . 30.9 m-85 -90.77 -41.73 11.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.558 -179.939 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 15.8 mt -53.4 -65.1 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.586 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 6.2 pt -50.68 -26.89 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.469 179.946 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -68.3 -31.16 70.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.574 179.836 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -85.0 -54.57 4.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.59 179.959 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . 0.402 ' C ' ' N ' ' A' ' 457' ' ' LEU . . . 134.81 33.47 0.29 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.867 -0.893 . . . . 1.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . 49.93 16.36 1.21 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.402 ' N ' ' C ' ' A' ' 455' ' ' GLY . 1.9 pp -83.05 -23.22 33.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.753 0.311 . . . . 1.0 110.553 -179.958 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . 0.573 ' NH1' ' CA ' ' A' ' 459' ' ' GLY . 0.0 OUTLIER -88.89 18.42 4.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.566 -179.991 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . 0.573 ' CA ' ' NH1' ' A' ' 458' ' ' ARG . . . -103.66 10.11 52.77 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.666 -0.974 . . . . 1.0 110.666 179.638 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -127.83 -15.26 4.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.746 0.308 . . . . 1.0 110.708 -179.86 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.549 ' N ' ' CD1' ' A' ' 461' ' ' ILE . 1.7 mp -86.53 -57.09 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.536 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -45.55 -38.83 6.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.693 -179.955 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -35.25 62.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.434 179.944 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 71.8 p -68.6 -10.11 53.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.627 179.863 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.491 ' C ' ' H ' ' A' ' 467' ' ' TYR . 2.1 mm? -84.88 -68.72 0.7 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.433 -179.948 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -63.23 1.5 1.99 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.069 -0.812 . . . . 1.0 111.069 -179.847 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 467' ' ' TYR . . . . . 0.491 ' H ' ' C ' ' A' ' 465' ' ' LEU . 2.6 t80 -90.58 -37.05 14.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.7 0.286 . . . . 1.0 110.784 -179.831 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 470' ' ' ASP . 8.4 mt -63.62 -77.77 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.841 -179.752 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -43.69 -19.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.658 -179.816 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 468' ' ' LEU . 1.1 m-20 -82.78 -41.57 18.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.572 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 468' ' ' LEU . 10.8 mttm -107.38 -58.0 2.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.542 179.96 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 468' ' ' LEU . 2.4 tptp -46.96 136.08 8.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.554 -179.973 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.4 0 O-C-N 120.064 -1.647 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.16 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.22 -68.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 1.0 110.583 . . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -84.47 -27.91 27.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.548 -179.977 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -90.12 -14.1 34.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.569 -179.946 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -87.23 -29.64 21.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.578 -179.998 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . 0.418 ' C ' ' N ' ' A' ' 453' ' ' ALA . 17.2 mt -69.07 -60.62 2.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.521 -179.997 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 16.6 tt -47.19 -19.79 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.638 179.913 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . 0.432 ' O ' ' CD1' ' A' ' 454' ' ' TYR . . . -76.94 -34.37 57.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.515 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 0.505 ' C ' ' H ' ' A' ' 456' ' ' GLY . 34.7 m-85 -142.1 -61.12 0.45 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.652 -179.957 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -49.02 -10.94 0.16 Allowed Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.047 -0.821 . . . . 1.0 111.047 -179.866 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . 0.505 ' H ' ' C ' ' A' ' 454' ' ' TYR . . . -126.18 -32.73 0.72 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.81 -0.916 . . . . 1.0 110.81 179.907 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 58.0 tp -100.05 80.78 2.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.882 0.372 . . . . 1.0 110.229 179.911 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . 0.51 ' C ' ' H ' ' A' ' 460' ' ' ALA . 16.9 mtm-85 -99.88 34.3 2.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.621 -179.891 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . 52.92 7.83 0.52 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.956 -0.857 . . . . 1.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . 0.51 ' H ' ' C ' ' A' ' 458' ' ' ARG . . . -127.22 -15.1 5.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.777 0.323 . . . . 1.0 110.632 -179.922 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.532 ' N ' ' CD1' ' A' ' 461' ' ' ILE . 1.6 mp -90.92 -42.59 13.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.632 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -66.37 -34.4 77.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.718 -179.904 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 463' ' ' PHE . . . . . 0.619 ' CD1' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -63.08 -42.84 99.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.446 -179.959 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 464' ' ' SER . . . . . 0.619 ' N ' ' CD1' ' A' ' 463' ' ' PHE . 0.0 OUTLIER -68.41 -11.75 60.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.44 179.93 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -90.75 -45.2 8.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.584 -179.929 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -89.91 -14.68 59.02 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.135 -0.786 . . . . 1.0 111.135 -179.832 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -51.05 -30.82 16.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.724 0.297 . . . . 1.0 110.841 -179.71 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.512 ' C ' ' H ' ' A' ' 470' ' ' ASP . 2.5 mp -74.04 -69.57 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.008 -179.704 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.75 -0.11 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.783 -179.666 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.512 ' H ' ' C ' ' A' ' 468' ' ' LEU . 22.3 t70 -101.17 -33.87 9.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.318 179.694 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -104.18 -53.08 2.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.54 179.833 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -72.53 -44.48 62.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.52 179.975 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 120.04 -1.662 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -146.52 -36.73 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.35 . . . . 1.0 110.658 . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -68.13 -60.4 2.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.647 -179.971 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.28 -23.28 0.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.563 179.993 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -91.14 -46.88 7.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.541 179.878 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 11.6 mt -61.92 -58.62 6.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.552 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . 0.447 ' CG2' ' N ' ' A' ' 453' ' ' ALA . 2.9 tt -51.29 -40.0 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.33 179.949 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 453' ' ' ALA . . . . . 0.447 ' N ' ' CG2' ' A' ' 452' ' ' ILE . . . -58.15 -28.49 64.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.161 179.608 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 454' ' ' TYR . . . . . 0.461 ' O ' ' N ' ' A' ' 456' ' ' GLY . 14.0 m-85 -103.05 29.75 5.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.87 -0.605 . . . . 1.0 110.167 179.787 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 39.32 27.35 0.08 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.081 -0.808 . . . . 1.0 111.081 179.928 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 456' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . 45.46 26.72 1.69 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.13 -0.788 . . . . 1.0 111.13 179.993 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 458' ' ' ARG . 2.1 pp -62.3 -46.07 90.42 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.856 -0.338 . . . . 1.0 110.344 179.768 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 458' ' ' ARG . . . . . 0.553 ' H ' ' HE ' ' A' ' 458' ' ' ARG . 0.0 OUTLIER 34.11 67.62 0.21 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.147 -0.478 . . . . 1.0 111.252 179.377 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -129.72 -6.66 4.06 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 179.975 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -104.22 -55.71 2.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.836 0.35 . . . . 1.0 110.591 179.936 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.402 ' N ' ' CD1' ' A' ' 461' ' ' ILE . 1.7 mp -50.76 -39.28 18.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.38 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -59.9 -29.83 68.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.638 179.954 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 463' ' ' PHE . . . . . 0.41 ' CD2' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -84.8 -45.12 12.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.52 -179.959 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 464' ' ' SER . . . . . 0.41 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 4.4 m -58.14 -26.6 62.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.582 -179.994 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 5.4 mp -83.23 -45.11 14.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.578 179.97 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -81.92 0.72 88.12 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 467' ' ' TYR . . . . . 0.401 ' O ' ' CD1' ' A' ' 467' ' ' TYR . 0.2 OUTLIER -79.54 -31.02 41.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.34 . . . . 1.0 110.66 -179.959 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 470' ' ' ASP . 2.5 mp -70.24 -76.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.655 -179.793 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -46.35 -16.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.671 -179.77 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 468' ' ' LEU . 3.1 t70 -82.94 -41.57 18.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.502 179.954 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -102.26 -50.14 3.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.605 179.898 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 472' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 468' ' ' LEU . 2.3 mmmm -72.21 -97.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.517 179.974 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 O-C-N 120.06 -1.65 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.739 0.304 . . . . 1.0 110.546 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 448' ' ' ASP . . . . . 0.421 ' C ' ' N ' ' A' ' 450' ' ' PHE . 34.6 m-20 -72.89 -46.37 53.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.532 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -49.71 -14.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.661 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.421 ' N ' ' C ' ' A' ' 448' ' ' ASP . 83.0 m-85 -90.12 -37.53 14.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.527 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 16.6 mt -72.24 -55.88 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.549 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 1.8 pp -57.93 -8.59 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.535 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -90.01 -29.5 18.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.605 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.587 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.847 0.356 . . . . 1.0 110.654 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -49.4 75.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.568 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -55.91 -19.3 11.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.546 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -90.71 -47.44 7.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.623 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 14.9 mt -51.54 -63.95 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.609 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 5.1 pt -51.61 -35.39 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.558 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -70.22 -23.52 62.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.445 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.477 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 10.6 ttpp . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.88 0.371 . . . . 1.0 110.577 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 448' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 448' ' ' ASP . 21.8 p-10 -82.0 -12.29 58.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.551 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -89.91 -14.56 33.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.505 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.58 -27.09 20.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.512 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 451' ' ' ILE . . . . . 0.425 ' C ' ' N ' ' A' ' 453' ' ' ALA . 22.1 mt -71.44 -59.61 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.557 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 5.9 pt -51.97 -12.97 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.554 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 453' ' ' ALA . . . . . 0.425 ' N ' ' C ' ' A' ' 451' ' ' ILE . . . -89.58 -27.99 19.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.589 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.553 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.885 0.374 . . . . 1.0 110.6 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -75.43 -12.43 60.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.639 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -86.89 -13.38 45.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.573 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.495 ' CD1' ' O ' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -90.0 -21.1 22.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.586 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 451' ' ' ILE . . . . . 0.445 ' C ' ' N ' ' A' ' 453' ' ' ALA . 32.2 mt -76.58 -59.42 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.605 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 1.1 pt -48.75 -15.34 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.608 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 453' ' ' ALA . . . . . 0.445 ' N ' ' C ' ' A' ' 451' ' ' ILE . . . -81.7 -35.12 30.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.518 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.548 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.745 0.307 . . . . 1.0 110.536 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -60.61 -25.38 66.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.594 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -90.25 -14.88 32.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.567 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.496 ' CD1' ' O ' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -90.03 -13.53 35.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.599 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 9.2 mt -88.69 -56.21 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.616 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 16.6 pt -53.67 -17.01 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.442 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -73.43 -41.94 62.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.53 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.611 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.526 0.037 0 CA-C-O 120.871 0.367 . . . . 1.0 110.601 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -67.6 -9.97 47.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.56 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -90.01 -17.23 28.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.56 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.42 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 0.0 OUTLIER -90.13 -36.84 14.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.54 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 451' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 454' ' ' TYR . 21.5 mt -63.78 -60.66 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.582 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 17.8 tt -46.02 -22.69 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.497 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 453' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 450' ' ' PHE . . . -78.57 -38.07 41.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.481 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 454' ' ' TYR . . . . . 0.414 ' N ' ' O ' ' A' ' 451' ' ' ILE . 37.5 m-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.665 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.827 0.346 . . . . 1.0 110.612 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -58.43 -30.45 66.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.625 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -85.46 -14.52 45.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.579 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.719 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 71.7 m-85 -90.39 -47.52 7.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.593 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 12.1 mt -54.45 -62.74 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.601 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 10.2 pt -51.75 -19.86 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.308 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 453' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 450' ' ' PHE . . . -72.26 -49.71 32.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.433 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.396 179.918 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.742 0.306 . . . . 1.0 110.579 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.89 -52.21 65.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.638 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -62.43 -15.85 51.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.699 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -89.64 -44.34 10.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.45 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 451' ' ' ILE . . . . . 0.409 ' C ' ' N ' ' A' ' 453' ' ' ALA . 14.5 mt -74.27 -53.36 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.481 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 452' ' ' ILE . . . . . 0.501 ' O ' HG22 ' A' ' 452' ' ' ILE . 28.3 mt -55.15 -9.49 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.543 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 453' ' ' ALA . . . . . 0.409 ' N ' ' C ' ' A' ' 451' ' ' ILE . . . -89.7 -48.64 7.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.588 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 454' ' ' TYR . . . . . 0.41 ' N ' ' CD1' ' A' ' 454' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.654 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 20.2 ttpt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.77 0.319 . . . . 1.0 110.545 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -58.29 -7.3 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.574 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -89.11 -14.83 35.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.594 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -90.01 -25.31 20.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.623 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 11.6 mt -85.34 -53.38 10.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.544 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 1.3 tt -57.38 -8.5 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.483 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -89.99 -34.44 15.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.594 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.608 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.82 0.343 . . . . 1.0 110.593 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 448' ' ' ASP . . . . . 0.509 ' O ' HG22 ' A' ' 452' ' ' ILE . 0.6 OUTLIER -50.68 -23.4 2.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.702 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -69.09 -26.67 65.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.606 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -91.25 -35.01 14.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.059 -0.518 . . . . 1.0 110.543 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 15.8 mt -76.78 -54.1 13.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.721 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 452' ' ' ILE . . . . . 0.509 HG22 ' O ' ' A' ' 448' ' ' ASP . 2.5 tt -57.46 -14.92 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.595 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 453' ' ' ALA . . . . . 0.471 ' O ' ' CD1' ' A' ' 454' ' ' TYR . . . -85.75 -23.73 27.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.438 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 454' ' ' TYR . . . . . 0.471 ' CD1' ' O ' ' A' ' 453' ' ' ALA . 47.9 m-85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.439 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.77 0.319 . . . . 1.0 110.593 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -60.16 -41.18 92.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.67 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -71.08 -14.28 62.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.675 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.63 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 86.9 m-85 -91.35 -51.59 5.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.434 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 12.0 mt -50.2 -63.51 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.584 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 7.8 pt -48.69 -38.54 9.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.932 -0.396 . . . . 1.0 109.932 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 453' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 450' ' ' PHE . . . -53.44 -30.29 39.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 1.0 109.796 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 115.761 -0.654 . . . . 1.0 110.196 179.749 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.734 0.302 . . . . 1.0 110.538 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.96 -9.74 59.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.593 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 449' ' ' GLN . . . . . 0.469 ' CD ' ' N ' ' A' ' 449' ' ' GLN . 18.4 mp0 -89.85 -13.98 35.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.572 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.515 ' CD1' ' O ' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -90.18 -23.36 21.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.517 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 6.1 mt -78.06 -51.92 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.503 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 452' ' ' ILE . . . . . 0.41 HD13 HG21 ' A' ' 452' ' ' ILE . 7.6 tt -50.16 -29.93 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.567 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -64.65 -46.74 81.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.566 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.66 -179.952 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.73 0.3 . . . . 1.0 110.512 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -67.6 -31.48 71.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.594 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -71.01 -15.05 62.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.624 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' ' 450' ' ' PHE . 35.8 m-85 -90.08 -42.33 11.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.561 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 16.4 mt -67.41 -56.86 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.631 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 2.9 tt -55.58 -15.5 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.569 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -85.55 -30.46 23.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.658 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.478 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 447' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 450' ' ' PHE . 6.1 mtmt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.735 0.302 . . . . 1.0 110.476 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.51 -21.5 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.52 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -90.29 -21.8 21.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.55 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 447' ' ' LYS . 0.0 OUTLIER -90.91 -23.0 20.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.565 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 451' ' ' ILE . . . . . 0.415 ' C ' ' N ' ' A' ' 453' ' ' ALA . 5.5 mt -81.52 -53.38 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.495 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 452' ' ' ILE . . . . . 0.403 HG21 HD13 ' A' ' 452' ' ' ILE . 7.9 tt -51.53 -13.49 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.477 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 453' ' ' ALA . . . . . 0.415 ' N ' ' C ' ' A' ' 451' ' ' ILE . . . -86.73 -35.98 18.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.544 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.569 -179.938 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.762 0.315 . . . . 1.0 110.532 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -55.74 -11.73 1.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.567 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -90.22 -17.73 26.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.597 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.689 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 61.8 m-85 -90.67 -47.06 7.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.536 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 11.6 mt -53.36 -63.02 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.637 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 19.5 pt -47.79 -24.37 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.498 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 453' ' ' ALA . . . . . 0.689 ' HB3' ' O ' ' A' ' 450' ' ' PHE . . . -66.9 -42.87 84.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.457 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 447' ' ' LYS . . . . . 0.435 ' NZ ' HD11 ' A' ' 451' ' ' ILE . 10.5 ttpp . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.861 0.362 . . . . 1.0 110.56 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -75.6 -32.52 60.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.613 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -63.09 -19.35 64.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.555 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -90.8 -29.73 17.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.457 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 451' ' ' ILE . . . . . 0.435 HD11 ' NZ ' ' A' ' 447' ' ' LYS . 13.0 mt -71.35 -59.22 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.575 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 2.0 pp -57.35 -29.75 33.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.522 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -75.49 -18.75 59.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.51 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.567 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.761 0.315 . . . . 1.0 110.507 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.46 -19.68 27.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.597 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -91.15 -6.72 53.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.601 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.426 ' CD1' ' C ' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -90.89 -35.74 14.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.432 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 56.2 mt -65.8 -53.76 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.212 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 1.7 mp -52.75 -27.69 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.238 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -70.45 -38.85 74.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.676 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.933 -179.705 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.764 0.316 . . . . 1.0 110.527 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -74.11 -29.08 61.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.55 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -69.21 -4.86 19.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.568 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -91.23 -49.54 6.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.471 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.53 -56.45 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.579 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 2.0 pp -56.69 -10.4 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.498 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 453' ' ' ALA . . . . . 0.513 ' O ' ' CD1' ' A' ' 454' ' ' TYR . . . -90.47 -33.89 15.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.485 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 454' ' ' TYR . . . . . 0.513 ' CD1' ' O ' ' A' ' 453' ' ' ALA . 13.3 m-85 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.743 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.751 0.31 . . . . 1.0 110.518 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -72.5 -19.46 61.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.625 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -84.02 -21.34 31.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.512 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.706 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 29.6 m-85 -90.79 -38.81 12.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.567 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 451' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 454' ' ' TYR . 9.7 mt -52.17 -66.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.552 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 452' ' ' ILE . . . . . 0.427 ' N ' HG22 ' A' ' 451' ' ' ILE . 1.8 pp -43.15 -21.06 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.402 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 453' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 450' ' ' PHE . . . -78.27 -39.76 39.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.395 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 454' ' ' TYR . . . . . 0.493 ' N ' ' O ' ' A' ' 451' ' ' ILE . 46.2 m-85 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.763 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.828 0.347 . . . . 1.0 110.55 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 448' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 449' ' ' GLN . 29.9 p-10 -60.79 -23.78 65.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.628 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 449' ' ' GLN . . . . . 0.482 ' N ' ' OD1' ' A' ' 448' ' ' ASP . 23.9 mm-40 -90.04 -17.06 28.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.576 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.514 ' CD1' ' O ' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -90.28 -24.37 20.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.524 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 11.3 mt -79.58 -55.05 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.523 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 15.4 tt -52.3 -31.2 14.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.579 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -65.39 -29.79 70.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.533 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.612 179.98 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.718 0.294 . . . . 1.0 110.566 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -73.82 -15.08 61.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.589 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -90.28 -20.51 22.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.556 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' A' ' 450' ' ' PHE . 27.1 m-85 -90.7 -27.21 19.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.49 -179.902 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 9.5 mt -64.21 -56.57 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.604 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 5.2 pt -51.89 -39.18 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.56 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -61.03 -39.9 91.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.387 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.388 179.957 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt . . . . . 0 C--O 1.23 0.034 0 CA-C-O 120.769 0.318 . . . . 1.0 110.855 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -98.0 -9.07 26.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.106 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.55 -20.26 22.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.862 -0.608 . . . . 1.0 109.937 179.775 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.515 ' CD1' ' O ' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -86.6 -18.29 31.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.256 179.757 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 13.5 mt -80.3 -49.76 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.356 179.762 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 1.8 pp -53.14 -23.77 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.357 179.776 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -83.26 -22.75 32.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.761 -179.843 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.893 -179.766 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.808 0.337 . . . . 1.0 110.499 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.92 -26.74 67.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.584 -179.926 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -69.22 -13.68 62.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.614 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -90.11 -42.84 10.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.494 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 10.6 mt -75.03 -51.47 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.495 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 452' ' ' ILE . . . . . 0.496 ' O ' HG22 ' A' ' 452' ' ' ILE . 60.1 mt -56.51 -9.81 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.497 179.869 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -90.06 -33.03 16.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.657 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.66 -179.948 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 447' ' ' LYS . . . . . 0.486 ' NZ ' HD11 ' A' ' 451' ' ' ILE . 8.2 ttpp . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.839 0.352 . . . . 1.0 110.567 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 448' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 448' ' ' ASP . 26.0 t0 -73.28 -18.34 61.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.625 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -78.66 -19.38 52.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.555 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 450' ' ' PHE . 26.6 m-85 -90.62 -30.54 17.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.534 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 451' ' ' ILE . . . . . 0.486 HD11 ' NZ ' ' A' ' 447' ' ' LYS . 11.9 mt -66.27 -59.38 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.506 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 6.0 pt -53.3 -13.11 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.596 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 453' ' ' ALA . . . . . 0.42 ' O ' ' CD1' ' A' ' 454' ' ' TYR . . . -90.73 -24.78 20.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.66 -179.938 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 454' ' ' TYR . . . . . 0.42 ' CD1' ' O ' ' A' ' 453' ' ' ALA . 46.4 m-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.748 -179.892 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.776 0.322 . . . . 1.0 110.592 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -73.12 -12.36 60.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.627 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -88.94 -21.97 23.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.616 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' A' ' 450' ' ' PHE . 26.0 m-85 -91.09 -34.87 14.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.53 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 11.1 mt -63.96 -50.18 78.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.584 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 12.0 pt -45.53 -32.79 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.228 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 453' ' ' ALA . . . . . 0.517 ' O ' ' CD1' ' A' ' 454' ' ' TYR . . . -84.81 -37.67 20.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.223 179.72 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 454' ' ' TYR . . . . . 0.517 ' CD1' ' O ' ' A' ' 453' ' ' ALA . 21.3 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.57 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 447' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 450' ' ' PHE . 0.2 OUTLIER . . . . . 0 CA--C 1.526 0.051 0 CA-C-O 120.762 0.315 . . . . 1.0 110.559 . . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.54 -25.55 2.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.547 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -90.25 -18.03 26.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.616 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.686 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 0.0 OUTLIER -90.33 -41.19 11.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.632 179.945 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 451' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 454' ' ' TYR . 5.4 mt -52.13 -65.86 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.534 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 452' ' ' ILE . . . . . 0.437 ' N ' HG22 ' A' ' 451' ' ' ILE . 6.8 pt -44.78 -22.02 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.426 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 453' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 450' ' ' PHE . . . -77.82 -37.29 48.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.521 179.842 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 454' ' ' TYR . . . . . 0.476 ' N ' ' O ' ' A' ' 451' ' ' ILE . 63.0 m-85 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.718 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 14.8 mtmt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.793 0.33 . . . . 1.0 110.576 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 448' ' ' ASP . . . . . 0.5 ' O ' HG22 ' A' ' 452' ' ' ILE . 65.6 m-20 -76.47 -24.31 53.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.695 -179.895 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -79.42 -24.52 42.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.539 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -91.01 -47.06 7.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.43 179.858 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 14.4 mt -60.77 -54.83 29.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.476 179.881 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 452' ' ' ILE . . . . . 0.5 HG22 ' O ' ' A' ' 448' ' ' ASP . 9.3 tt -55.83 -37.27 46.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.424 179.894 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 453' ' ' ALA . . . . . 0.422 ' N ' ' CG2' ' A' ' 452' ' ' ILE . . . -66.16 -23.73 66.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.372 179.895 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.551 179.982 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.776 0.322 . . . . 1.0 110.538 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.75 -21.94 34.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.524 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -89.96 -14.25 34.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.593 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.452 ' CD1' ' O ' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -89.97 -24.48 21.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.596 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 43.2 mt -73.41 -59.03 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.569 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 23.0 pt -54.19 -13.77 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.571 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -87.42 -25.81 23.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.514 -179.913 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.545 179.981 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 447' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 449' ' ' GLN . 21.6 ttpt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.784 0.326 . . . . 1.0 110.588 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.55 -13.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.799 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 449' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 447' ' ' LYS . 45.3 mt-30 -88.64 -31.13 18.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.937 -179.667 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.464 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 36.7 m-85 -75.1 -19.16 60.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.34 179.941 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 18.4 mm -67.87 -65.75 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.746 -0.661 . . . . 1.0 110.429 179.819 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 13.7 pt -45.84 -28.06 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.196 179.757 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 453' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 450' ' ' PHE . . . -61.12 -39.32 89.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.338 179.716 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.296 179.831 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.834 0.349 . . . . 1.0 110.659 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.13 -44.41 87.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.631 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -72.77 -14.52 61.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.545 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 450' ' ' PHE . 33.9 m-85 -88.08 -34.1 18.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.652 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 451' ' ' ILE . . . . . 0.413 ' C ' ' N ' ' A' ' 453' ' ' ALA . 15.7 mt -72.81 -56.87 8.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.532 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 4.0 tt -55.24 -9.33 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.582 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 453' ' ' ALA . . . . . 0.413 ' N ' ' C ' ' A' ' 451' ' ' ILE . . . -90.04 -34.73 15.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.608 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.664 179.948 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 447' ' ' LYS . . . . . 0.441 ' C ' ' H ' ' A' ' 449' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.836 0.351 . . . . 1.0 110.359 . . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.69 -8.89 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.627 -179.836 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 449' ' ' GLN . . . . . 0.441 ' H ' ' C ' ' A' ' 447' ' ' LYS . 7.5 mt-30 -90.36 -21.05 22.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.559 -179.948 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.473 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 30.3 m-85 -90.79 -35.0 15.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.6 179.947 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 14.1 mt -58.8 -50.93 77.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.63 -179.954 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 11.4 pt -57.83 -15.8 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.545 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 453' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 450' ' ' PHE . . . -84.03 -32.19 25.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.64 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.575 179.937 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.845 0.355 . . . . 1.0 110.585 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.84 -13.2 1.65 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.582 179.95 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -90.03 -16.19 30.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.634 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.26 -26.49 20.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.537 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 451' ' ' ILE . . . . . 0.435 HG22 ' N ' ' A' ' 452' ' ' ILE . 10.0 mt -64.11 -64.69 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.445 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 452' ' ' ILE . . . . . 0.435 ' N ' HG22 ' A' ' 451' ' ' ILE . 1.8 pp -49.09 -25.48 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -80.58 -32.61 36.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.482 179.738 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.76 179.931 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 20.4 mtmm . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.777 0.322 . . . . 1.0 110.462 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.71 -27.16 69.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.493 -179.945 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -89.57 -14.01 36.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.566 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -89.96 -39.55 12.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.535 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 12.3 mt -73.35 -54.63 15.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.551 -179.955 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 6.5 tt -55.56 -9.98 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.576 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -90.04 -31.13 17.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.618 179.952 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.621 179.883 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.829 0.347 . . . . 1.0 110.549 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -57.53 -14.04 4.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.599 179.966 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -87.91 -8.87 55.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.477 -179.969 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.67 -47.05 7.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.445 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 451' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 454' ' ' TYR . 2.7 mp -64.67 -57.02 13.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.676 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 20.0 tt -47.11 -30.1 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.37 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -72.35 -33.94 67.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.391 179.842 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 454' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 451' ' ' ILE . 4.1 m-85 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.456 179.901 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.713 0.292 . . . . 1.0 110.301 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.52 -14.22 62.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.547 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -89.45 -12.27 40.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.552 -179.955 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.506 ' CD1' ' O ' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -86.5 -18.8 30.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.493 -179.938 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 29.9 mt -78.16 -57.42 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.491 -179.962 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 9.8 pt -54.93 -12.25 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.547 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 453' ' ' ALA . . . . . 0.403 ' O ' ' CD1' ' A' ' 454' ' ' TYR . . . -88.5 -21.87 23.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.598 -179.978 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 454' ' ' TYR . . . . . 0.403 ' CD1' ' O ' ' A' ' 453' ' ' ALA . 64.1 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.621 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.802 0.334 . . . . 1.0 110.5 . . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.65 -29.51 70.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.629 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -66.53 -18.1 65.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.602 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.695 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 71.4 m-85 -91.29 -49.21 6.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.436 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 12.1 mt -54.47 -62.02 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.553 -179.969 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 2.0 pp -49.82 -22.52 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.419 179.957 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 453' ' ' ALA . . . . . 0.695 ' HB3' ' O ' ' A' ' 450' ' ' PHE . . . -67.65 -40.48 84.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.503 179.901 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.438 179.903 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.739 0.304 . . . . 1.0 110.372 . . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.05 -14.02 51.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.566 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -90.04 -14.62 33.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.595 179.962 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.523 ' CD1' ' O ' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -84.94 -16.13 42.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.53 -179.922 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 42.0 mt -83.18 -56.28 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.593 179.981 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 1.7 pp -56.48 -13.12 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.522 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -88.8 -29.62 19.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.584 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.54 -179.962 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.751 0.31 . . . . 1.0 110.484 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.97 -23.27 12.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.658 -179.943 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -90.07 -20.64 22.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.66 179.95 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.589 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 30.9 m-85 -90.77 -41.73 11.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.558 -179.939 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 15.8 mt -53.4 -65.1 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.586 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 6.2 pt -50.68 -26.89 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.469 179.946 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 453' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 450' ' ' PHE . . . -68.3 -31.16 70.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.574 179.836 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.59 179.959 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.806 0.336 . . . . 1.0 110.583 . . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -84.47 -27.91 27.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.548 -179.977 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -90.12 -14.1 34.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.569 -179.946 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -87.23 -29.64 21.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.578 -179.998 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 451' ' ' ILE . . . . . 0.418 ' C ' ' N ' ' A' ' 453' ' ' ALA . 17.2 mt -69.07 -60.62 2.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.521 -179.997 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 16.6 tt -47.19 -19.79 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.638 179.913 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 453' ' ' ALA . . . . . 0.432 ' O ' ' CD1' ' A' ' 454' ' ' TYR . . . -76.94 -34.37 57.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.515 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 454' ' ' TYR . . . . . 0.432 ' CD1' ' O ' ' A' ' 453' ' ' ALA . 34.7 m-85 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.652 -179.957 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.836 0.35 . . . . 1.0 110.658 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -68.13 -60.4 2.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.647 -179.971 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -47.28 -23.28 0.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.563 179.993 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -91.14 -46.88 7.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.541 179.878 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 11.6 mt -61.92 -58.62 6.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.552 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 452' ' ' ILE . . . . . 0.47 HG23 ' N ' ' A' ' 453' ' ' ALA . 2.9 tt -51.29 -40.0 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.33 179.949 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 453' ' ' ALA . . . . . 0.47 ' N ' HG23 ' A' ' 452' ' ' ILE . . . -58.15 -28.49 64.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.161 179.608 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 115.87 -0.605 . . . . 1.0 110.167 179.787 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -143.74 -36.88 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.739 0.304 . . . . 1.0 110.546 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 448' ' ' ASP . . . . . 0.421 ' C ' ' N ' ' A' ' 450' ' ' PHE . 34.6 m-20 -72.89 -46.37 53.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.532 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -49.71 -14.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.661 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.421 ' N ' ' C ' ' A' ' 448' ' ' ASP . 83.0 m-85 -90.12 -37.53 14.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.527 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 16.6 mt -72.24 -55.88 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.549 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 1.8 pp -57.93 -8.59 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.535 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -90.01 -29.5 18.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.605 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -140.84 -69.19 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.587 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -41.11 -30.97 0.46 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . -99.21 -52.91 1.2 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.005 -0.838 . . . . 1.0 111.005 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.405 ' O ' ' CB ' ' A' ' 458' ' ' ARG . 14.8 tp -72.92 -64.85 0.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 1.0 110.469 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 458' ' ' ARG . . . . . 0.509 ' O ' ' N ' ' A' ' 460' ' ' ALA . 3.4 tpp180 74.51 45.87 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.434 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -41.1 -21.54 0.05 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.934 -0.867 . . . . 1.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 460' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 458' ' ' ARG . . . -51.84 -25.81 8.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 1.0 110.576 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.656 ' N ' HD12 ' A' ' 461' ' ' ILE . 1.6 mp -92.37 -44.66 14.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.475 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -57.47 -38.63 74.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.687 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 463' ' ' PHE . . . . . 0.57 ' CD1' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -66.7 -44.45 81.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.486 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 464' ' ' SER . . . . . 0.57 ' N ' ' CD1' ' A' ' 463' ' ' PHE . 30.3 m -56.89 -44.98 82.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.502 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.5 mt -72.5 -37.76 68.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.53 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -86.56 1.15 87.17 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 467' ' ' TYR . . . . . 0.491 ' N ' ' O ' ' A' ' 463' ' ' PHE . 0.6 OUTLIER -83.04 -28.94 29.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.801 0.334 . . . . 1.0 110.647 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 470' ' ' ASP . 1.9 mp -74.53 -76.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.716 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 2.0 pp -46.23 -16.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.6 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 468' ' ' LEU . 1.5 t70 -80.74 -47.84 13.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.474 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.21 -45.36 8.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.596 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 35.5 mmtt -83.53 -16.13 46.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.58 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.319 0 O-C-N 119.99 -1.694 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -137.99 -35.68 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 1.0 110.654 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -49.4 75.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.568 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -55.91 -19.3 11.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.546 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -90.71 -47.44 7.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.623 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 14.9 mt -51.54 -63.95 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.609 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 5.1 pt -51.61 -35.39 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.558 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -70.22 -23.52 62.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.445 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -86.33 -31.77 21.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.477 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 106.75 27.6 5.38 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . 44.08 71.95 0.39 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.683 ' N ' ' HE ' ' A' ' 458' ' ' ARG . 0.9 OUTLIER -131.44 -30.19 1.71 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.67 0.271 . . . . 1.0 110.608 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 458' ' ' ARG . . . . . 0.683 ' HE ' ' N ' ' A' ' 457' ' ' LEU . 0.0 OUTLIER -40.61 -22.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.377 . . . . 1.0 110.809 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 459' ' ' GLY . . . . . 0.66 ' H ' ' CZ ' ' A' ' 458' ' ' ARG . . . -54.08 -36.51 56.64 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.038 -0.825 . . . . 1.0 111.038 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -80.07 -12.71 59.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.773 0.32 . . . . 1.0 110.639 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.645 ' N ' HD12 ' A' ' 461' ' ' ILE . 1.6 mp -91.62 -47.92 14.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.654 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -59.52 -35.88 75.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.717 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 463' ' ' PHE . . . . . 0.616 ' CD1' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -64.38 -40.93 96.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.471 179.872 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 464' ' ' SER . . . . . 0.616 ' N ' ' CD1' ' A' ' 463' ' ' PHE . 2.1 t -69.26 -11.78 61.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.482 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -89.73 -53.03 4.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.511 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -85.31 0.48 88.63 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.034 -0.827 . . . . 1.0 111.034 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -65.59 -35.01 79.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.713 0.292 . . . . 1.0 110.601 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 472' ' ' LYS . 1.9 mp -66.75 -75.59 0.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.791 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 2.1 pp -48.22 -16.94 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.681 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.434 ' N ' ' C ' ' A' ' 468' ' ' LEU . 4.1 t70 -81.09 -44.61 17.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.385 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -96.54 -48.64 5.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.55 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 472' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 468' ' ' LEU . 3.4 mptt -64.07 145.41 55.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.612 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 119.968 -1.708 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 10.6 ttpp -139.2 -45.73 0.46 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.88 0.371 . . . . 1.0 110.577 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 448' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 448' ' ' ASP . 21.8 p-10 -82.0 -12.29 58.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.551 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -89.91 -14.56 33.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.505 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.58 -27.09 20.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.512 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 451' ' ' ILE . . . . . 0.425 ' C ' ' N ' ' A' ' 453' ' ' ALA . 22.1 mt -71.44 -59.61 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.557 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 5.9 pt -51.97 -12.97 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.554 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 453' ' ' ALA . . . . . 0.425 ' N ' ' C ' ' A' ' 451' ' ' ILE . . . -89.58 -27.99 19.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.589 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 0.4 ' O ' ' N ' ' A' ' 456' ' ' GLY . 85.8 m-85 -139.7 -70.44 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.553 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -41.28 -27.72 0.26 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.976 -0.85 . . . . 1.0 110.976 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 456' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -98.87 -44.47 2.43 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 14.9 tp -86.94 -68.9 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.683 0.277 . . . . 1.0 110.323 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 458' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 460' ' ' ALA . 5.0 tpt85 68.71 49.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.521 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -47.03 -14.18 0.12 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.032 -0.827 . . . . 1.0 111.032 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 460' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 458' ' ' ARG . . . -57.67 -16.57 11.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.838 0.352 . . . . 1.0 110.609 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.531 ' N ' HD12 ' A' ' 461' ' ' ILE . 1.4 mp -91.96 -53.87 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.51 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -53.25 -37.86 62.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 463' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' A' ' 463' ' ' PHE . 0.0 OUTLIER -67.36 -40.09 85.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.37 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 82.5 p -68.98 -13.03 62.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.506 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -85.23 -49.44 8.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.423 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -78.01 0.83 71.38 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.998 -0.841 . . . . 1.0 110.998 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -91.65 -42.93 9.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.724 0.297 . . . . 1.0 110.488 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.413 ' C ' ' H ' ' A' ' 470' ' ' ASP . 8.7 mt -60.94 -54.58 43.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.474 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 469' ' ' LEU . . . . . 0.646 HD12 ' C ' ' A' ' 469' ' ' LEU . 3.1 pp -61.47 -4.33 1.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.392 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.611 ' N ' HD12 ' A' ' 469' ' ' LEU . 0.2 OUTLIER -99.59 -36.38 9.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.256 179.859 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm -111.74 -58.24 2.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.46 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 472' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 468' ' ' LEU . 2.2 mmmp? -91.24 86.35 6.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.554 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 120.059 -1.651 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp -100.33 -53.69 3.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.885 0.374 . . . . 1.0 110.6 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -75.43 -12.43 60.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.639 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -86.89 -13.38 45.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.573 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.495 ' CD1' ' O ' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -90.0 -21.1 22.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.586 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 451' ' ' ILE . . . . . 0.445 ' C ' ' N ' ' A' ' 453' ' ' ALA . 32.2 mt -76.58 -59.42 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.605 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 1.1 pt -48.75 -15.34 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.608 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 453' ' ' ALA . . . . . 0.445 ' N ' ' C ' ' A' ' 451' ' ' ILE . . . -81.7 -35.12 30.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.518 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 0.517 ' O ' ' N ' ' A' ' 456' ' ' GLY . 38.3 m-85 -140.6 -65.54 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.548 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -41.21 -21.75 0.06 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 456' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -102.5 -56.92 0.81 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.849 -0.9 . . . . 1.0 110.849 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.475 ' C ' ' H ' ' A' ' 459' ' ' GLY . 15.0 tp -54.22 -76.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.88 0.371 . . . . 1.0 110.325 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 458' ' ' ARG . . . . . 0.51 HH12 HG21 ' A' ' 461' ' ' ILE . 2.4 tpt85 73.06 -37.74 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.582 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 459' ' ' GLY . . . . . 0.475 ' H ' ' C ' ' A' ' 457' ' ' LEU . . . -48.08 -53.3 15.18 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -54.45 -70.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.697 0.284 . . . . 1.0 110.582 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.515 ' N ' HD12 ' A' ' 461' ' ' ILE . 1.7 mp -48.92 -35.3 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.459 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -68.01 -27.01 66.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.685 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 463' ' ' PHE . . . . . 0.532 ' CD2' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -89.84 -44.71 9.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.527 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 464' ' ' SER . . . . . 0.532 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 0.2 OUTLIER -58.88 -14.41 8.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.58 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.2 mp -90.01 -45.08 9.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.568 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 466' ' ' GLY . . . . . 0.414 ' O ' ' OD2' ' A' ' 470' ' ' ASP . . . -84.48 1.25 88.99 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -90.87 -35.51 14.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.753 0.311 . . . . 1.0 110.646 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 472' ' ' LYS . 8.6 mt -65.03 -75.13 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.904 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 2.0 pp -44.58 -18.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.683 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.4 OUTLIER -80.17 -41.99 24.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.425 179.878 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 471' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 468' ' ' LEU . 10.0 mmtm -104.81 -50.3 3.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.468 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 472' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 468' ' ' LEU . 7.9 mmtp -79.59 -68.43 0.67 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.572 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 120.047 -1.658 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.063 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt -144.09 -52.25 0.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.745 0.307 . . . . 1.0 110.536 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -60.61 -25.38 66.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.594 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -90.25 -14.88 32.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.567 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.496 ' CD1' ' O ' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -90.03 -13.53 35.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.599 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 9.2 mt -88.69 -56.21 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.616 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 16.6 pt -53.67 -17.01 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.442 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -73.43 -41.94 62.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.53 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -92.67 17.88 9.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.611 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 455' ' ' GLY . . . . . 0.518 ' O ' ' NH1' ' A' ' 458' ' ' ARG . . . 48.8 46.59 31.42 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.161 -0.776 . . . . 1.0 111.161 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . 88.29 -16.57 52.15 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.085 -0.806 . . . . 1.0 111.085 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.494 ' C ' ' H ' ' A' ' 459' ' ' GLY . 0.6 OUTLIER 58.19 19.32 6.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.911 0.386 . . . . 1.0 110.388 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 458' ' ' ARG . . . . . 0.702 ' HE ' ' N ' ' A' ' 459' ' ' GLY . 0.0 OUTLIER -71.05 15.02 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.837 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 459' ' ' GLY . . . . . 0.702 ' N ' ' HE ' ' A' ' 458' ' ' ARG . . . -102.54 -8.96 42.18 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.879 -0.888 . . . . 1.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -101.84 -5.81 24.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.828 0.347 . . . . 1.0 110.566 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.719 ' N ' HD12 ' A' ' 461' ' ' ILE . 1.7 mp -90.28 -58.95 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.486 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -60.16 -30.45 69.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.594 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 463' ' ' PHE . . . . . 0.612 ' CD2' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -71.96 -48.41 45.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.514 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 464' ' ' SER . . . . . 0.612 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 2.5 t -56.76 -47.53 79.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.495 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.4 mt -73.08 -32.69 65.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.581 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -90.05 0.58 79.1 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.969 -0.853 . . . . 1.0 110.969 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 467' ' ' TYR . . . . . 0.522 ' N ' ' O ' ' A' ' 463' ' ' PHE . 2.5 t80 -86.95 -36.15 18.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 1.0 110.717 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 470' ' ' ASP . 8.2 mt -65.62 -77.59 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.607 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -46.08 -17.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.644 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 468' ' ' LEU . 1.7 t0 -80.35 -38.6 30.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.431 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 471' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 468' ' ' LEU . 8.0 mmtm -104.2 -47.37 4.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.515 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 472' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 468' ' ' LEU . 46.3 mmtt -85.14 40.52 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.665 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 120.061 -1.649 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.49 -38.63 11.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.871 0.367 . . . . 1.0 110.601 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -67.6 -9.97 47.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.56 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -90.01 -17.23 28.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.56 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.42 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 0.0 OUTLIER -90.13 -36.84 14.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.54 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 451' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 454' ' ' TYR . 21.5 mt -63.78 -60.66 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.582 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 17.8 tt -46.02 -22.69 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.497 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 453' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 450' ' ' PHE . . . -78.57 -38.07 41.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.481 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' ' 456' ' ' GLY . 37.5 m-85 -136.43 -66.5 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.665 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -39.99 -24.67 0.06 OUTLIER Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 456' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -109.95 -58.27 0.51 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.818 -0.913 . . . . 1.0 110.818 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 459' ' ' GLY . 57.3 tp -42.36 -87.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.771 0.32 . . . . 1.0 110.282 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 458' ' ' ARG . . . . . 0.595 ' NH2' HG21 ' A' ' 461' ' ' ILE . 0.0 OUTLIER 41.91 20.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.666 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 459' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 457' ' ' LEU . . . -103.79 20.83 40.27 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -136.86 -67.29 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.671 0.272 . . . . 1.0 110.516 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.595 HG21 ' NH2' ' A' ' 458' ' ' ARG . 1.7 mp -53.46 -43.38 52.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.397 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -46.19 -33.68 3.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.595 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.62 -27.04 19.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.454 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 8.0 t -64.59 -34.91 79.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.67 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.0 pp -90.15 -23.52 21.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.583 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 466' ' ' GLY . . . . . 0.416 ' O ' ' OD1' ' A' ' 470' ' ' ASP . . . -90.16 1.39 79.95 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.014 -0.834 . . . . 1.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 467' ' ' TYR . . . . . 0.43 ' O ' ' N ' ' A' ' 471' ' ' LYS . 7.0 t80 -90.55 -41.56 11.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.789 0.328 . . . . 1.0 110.716 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.481 ' C ' ' N ' ' A' ' 470' ' ' ASP . 8.7 mt -56.99 -75.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.852 -179.624 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -47.26 -13.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.714 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.481 ' N ' ' C ' ' A' ' 468' ' ' LEU . 1.0 OUTLIER -97.24 -32.52 11.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.629 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 471' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.0 OUTLIER -87.51 -25.91 23.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.479 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 6.7 mmtm -68.2 -54.78 15.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.567 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.303 0 O-C-N 120.003 -1.686 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -139.95 -43.05 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.827 0.346 . . . . 1.0 110.612 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -58.43 -30.45 66.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.625 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -85.46 -14.52 45.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.579 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.719 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 71.7 m-85 -90.39 -47.52 7.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.593 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 12.1 mt -54.45 -62.74 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.601 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 10.2 pt -51.75 -19.86 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.308 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 453' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 450' ' ' PHE . . . -72.26 -49.71 32.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.433 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -93.81 20.3 7.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.396 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 455' ' ' GLY . . . . . 0.476 ' C ' ' H ' ' A' ' 457' ' ' LEU . . . 41.38 80.02 0.04 OUTLIER Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.736 -0.946 . . . . 1.0 110.736 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 456' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' A' ' 458' ' ' ARG . . . 51.91 7.76 0.34 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 459' ' ' GLY . 1.2 tt 57.33 6.45 0.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.306 0.574 . . . . 1.0 109.728 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 458' ' ' ARG . . . . . 0.478 ' H ' ' C ' ' A' ' 456' ' ' GLY . 17.0 mmm180 -42.58 -21.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.519 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 459' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 457' ' ' LEU . . . -72.16 41.14 0.74 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 460' ' ' ALA . . . . . 0.455 ' H ' ' C ' ' A' ' 458' ' ' ARG . . . -148.6 -37.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 1.0 110.656 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.525 ' N ' HD12 ' A' ' 461' ' ' ILE . 1.6 mp -65.82 -35.72 75.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.521 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -67.79 -28.01 67.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.617 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.92 -45.72 9.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.536 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.71 -23.21 16.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.579 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.486 ' C ' ' H ' ' A' ' 467' ' ' TYR . 2.3 mp -78.67 -67.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.542 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -62.68 1.83 1.5 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 467' ' ' TYR . . . . . 0.486 ' H ' ' C ' ' A' ' 465' ' ' LEU . 0.2 OUTLIER -83.9 -30.64 26.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.369 . . . . 1.0 110.664 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 472' ' ' LYS . 1.1 mt -76.33 -64.37 1.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.657 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 469' ' ' LEU . . . . . 0.714 ' H ' HD23 ' A' ' 469' ' ' LEU . 0.1 OUTLIER -56.09 -12.0 1.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.568 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -87.42 -38.4 16.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.391 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -100.28 -48.81 4.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.65 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 472' ' ' LYS . . . . . 0.527 ' CD ' ' N ' ' A' ' 472' ' ' LYS . 9.0 mptt -68.07 -90.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.569 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.983 -1.698 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -141.84 -36.2 0.43 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.742 0.306 . . . . 1.0 110.579 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.89 -52.21 65.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.638 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -62.43 -15.85 51.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.699 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -89.64 -44.34 10.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.45 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 451' ' ' ILE . . . . . 0.409 ' C ' ' N ' ' A' ' 453' ' ' ALA . 14.5 mt -74.27 -53.36 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.481 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 452' ' ' ILE . . . . . 0.501 ' O ' HG22 ' A' ' 452' ' ' ILE . 28.3 mt -55.15 -9.49 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.543 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 453' ' ' ALA . . . . . 0.409 ' N ' ' C ' ' A' ' 451' ' ' ILE . . . -89.7 -48.64 7.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.588 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 0.41 ' N ' ' CD1' ' A' ' 454' ' ' TYR . 0.9 OUTLIER -119.1 -68.55 0.91 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.654 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -42.42 -28.09 0.55 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 456' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 458' ' ' ARG . . . -142.83 40.1 1.28 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.665 -0.974 . . . . 1.0 110.665 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 459' ' ' GLY . 5.6 tt -42.25 -20.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.366 . . . . 1.0 110.594 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 458' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 456' ' ' GLY . 2.5 mpt_? -41.01 -22.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.615 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 459' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 457' ' ' LEU . . . -55.72 -5.82 1.0 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.83 -0.908 . . . . 1.0 110.83 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 460' ' ' ALA . . . . . 0.487 ' H ' ' C ' ' A' ' 458' ' ' ARG . . . -92.74 -23.41 18.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.812 0.339 . . . . 1.0 110.592 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.549 ' N ' HD12 ' A' ' 461' ' ' ILE . 1.7 mp -90.16 -39.11 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.579 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -64.24 -30.57 71.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.522 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -84.87 -44.71 12.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.59 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 23.0 m -57.25 -20.76 29.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.577 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.492 ' C ' ' H ' ' A' ' 467' ' ' TYR . 2.1 mp -79.42 -68.47 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.551 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 466' ' ' GLY . . . . . 0.5 ' HA2' HD11 ' A' ' 469' ' ' LEU . . . -62.51 1.94 1.39 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.081 -0.808 . . . . 1.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 467' ' ' TYR . . . . . 0.523 ' OH ' ' NZ ' ' A' ' 471' ' ' LYS . 9.9 t80 -77.64 -41.86 36.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.95 0.405 . . . . 1.0 110.657 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 468' ' ' LEU . . . . . . . . . . . . . 8.6 mt -56.77 -51.96 66.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.688 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 469' ' ' LEU . . . . . 0.716 ' H ' HD23 ' A' ' 469' ' ' LEU . 0.1 OUTLIER -59.54 -8.65 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 1.0 110.254 179.836 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.53 -36.72 8.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.415 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 471' ' ' LYS . . . . . 0.523 ' NZ ' ' OH ' ' A' ' 467' ' ' TYR . 0.0 OUTLIER -81.36 -23.97 37.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.547 179.854 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -74.6 52.65 0.52 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.542 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 120.03 -1.669 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 20.2 ttpt -140.58 -60.9 0.51 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.77 0.319 . . . . 1.0 110.545 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -58.29 -7.3 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.574 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -89.11 -14.83 35.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.594 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -90.01 -25.31 20.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.623 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 11.6 mt -85.34 -53.38 10.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.544 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 1.3 tt -57.38 -8.5 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.483 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -89.99 -34.44 15.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.594 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 0.413 ' O ' ' N ' ' A' ' 456' ' ' GLY . 14.9 m-85 -138.83 -68.34 0.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.608 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -41.26 -27.27 0.23 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.876 -0.89 . . . . 1.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 456' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -102.72 -47.59 1.36 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.879 -0.889 . . . . 1.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 14.9 tp -74.19 -66.11 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 1.0 110.335 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 458' ' ' ARG . . . . . 0.432 ' C ' ' N ' ' A' ' 460' ' ' ALA . 0.9 OUTLIER 69.52 50.04 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.499 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -46.46 -18.59 0.35 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.076 -0.809 . . . . 1.0 111.076 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 460' ' ' ALA . . . . . 0.432 ' N ' ' C ' ' A' ' 458' ' ' ARG . . . -54.77 -16.61 2.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.791 0.329 . . . . 1.0 110.59 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.52 ' N ' HD12 ' A' ' 461' ' ' ILE . 1.5 mp -92.32 -53.55 8.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.541 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -54.85 -40.44 69.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.837 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -38.32 90.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.4 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -14.3 62.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.467 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -87.03 -53.34 4.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.485 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -77.16 0.88 66.0 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.065 -0.814 . . . . 1.0 111.065 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 467' ' ' TYR . . . . . 0.411 ' O ' ' N ' ' A' ' 471' ' ' LYS . 6.8 t80 -89.75 -41.44 11.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.705 0.288 . . . . 1.0 110.718 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.474 ' C ' ' N ' ' A' ' 470' ' ' ASP . 9.1 mt -57.3 -74.91 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.811 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -47.3 -13.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.725 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.474 ' N ' ' C ' ' A' ' 468' ' ' LEU . 12.0 t70 -96.81 -29.7 13.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.653 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 471' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.0 OUTLIER -91.87 -25.93 18.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.627 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -62.03 -62.62 1.65 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.552 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.39 0 O-C-N 120.096 -1.627 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.23 -69.93 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.82 0.343 . . . . 1.0 110.593 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 448' ' ' ASP . . . . . 0.509 ' O ' HG22 ' A' ' 452' ' ' ILE . 0.6 OUTLIER -50.68 -23.4 2.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.702 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -69.09 -26.67 65.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.606 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -91.25 -35.01 14.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.059 -0.518 . . . . 1.0 110.543 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 451' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 456' ' ' GLY . 15.8 mt -76.78 -54.1 13.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.721 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 452' ' ' ILE . . . . . 0.509 HG22 ' O ' ' A' ' 448' ' ' ASP . 2.5 tt -57.46 -14.92 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.595 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 453' ' ' ALA . . . . . 0.471 ' O ' ' CD1' ' A' ' 454' ' ' TYR . . . -85.75 -23.73 27.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.438 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 0.524 ' O ' ' NE ' ' A' ' 458' ' ' ARG . 47.9 m-85 -148.93 -69.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.439 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -49.59 -8.15 0.11 Allowed Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.314 -0.714 . . . . 1.0 111.314 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 456' ' ' GLY . . . . . 0.518 ' H ' ' C ' ' A' ' 454' ' ' TYR . . . -143.86 37.58 1.42 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.873 -0.891 . . . . 1.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.566 ' C ' ' H ' ' A' ' 459' ' ' GLY . 18.3 tp -144.7 -57.36 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.882 0.372 . . . . 1.0 110.292 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 458' ' ' ARG . . . . . 0.691 ' HE ' ' N ' ' A' ' 458' ' ' ARG . 0.0 OUTLIER -69.12 25.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.963 -179.724 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 459' ' ' GLY . . . . . 0.566 ' H ' ' C ' ' A' ' 457' ' ' LEU . . . -83.43 -26.57 42.72 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 460' ' ' ALA . . . . . 0.4 ' C ' HD12 ' A' ' 461' ' ' ILE . . . -100.55 -8.51 22.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.38 . . . . 1.0 110.564 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.698 ' N ' HD12 ' A' ' 461' ' ' ILE . 1.7 mp -91.56 -57.26 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.604 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -51.7 -38.31 54.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.685 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -38.44 81.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.473 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 12.3 p -68.95 -12.41 61.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.581 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -86.93 -49.77 7.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.554 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -83.39 0.88 89.46 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.992 -0.843 . . . . 1.0 110.992 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -70.69 -35.14 72.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.794 0.331 . . . . 1.0 110.729 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 472' ' ' LYS . 2.0 mp -66.4 -76.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.768 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 2.0 pp -46.1 -16.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.622 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.471 ' N ' ' C ' ' A' ' 468' ' ' LEU . 3.5 t70 -83.0 -42.66 17.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.574 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -101.53 -47.19 4.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.498 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 472' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 468' ' ' LEU . 11.1 mmtp -83.92 -118.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.589 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 120.074 -1.641 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.075 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -145.44 -46.2 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.77 0.319 . . . . 1.0 110.593 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -60.16 -41.18 92.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.67 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -71.08 -14.28 62.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.675 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.63 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 86.9 m-85 -91.35 -51.59 5.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.434 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 12.0 mt -50.2 -63.51 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.584 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 7.8 pt -48.69 -38.54 9.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.932 -0.396 . . . . 1.0 109.932 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 453' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 450' ' ' PHE . . . -53.44 -30.29 39.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 1.0 109.796 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -110.98 19.76 18.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.761 -0.654 . . . . 1.0 110.196 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 39.96 38.74 1.27 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.846 -0.901 . . . . 1.0 110.846 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . 58.38 58.59 13.77 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.824 -0.911 . . . . 1.0 110.824 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.577 HD12 ' H ' ' A' ' 459' ' ' GLY . 2.5 pp -41.84 -38.09 1.43 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.903 -0.406 . . . . 1.0 109.903 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 458' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 457' ' ' LEU . 1.2 mpt_? 29.39 68.58 0.09 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.647 -0.706 . . . . 1.0 111.234 179.31 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 459' ' ' GLY . . . . . 0.577 ' H ' HD12 ' A' ' 457' ' ' LEU . . . -133.2 15.21 4.79 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.771 -0.932 . . . . 1.0 110.771 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -134.14 -66.56 0.61 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.728 0.299 . . . . 1.0 110.495 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.513 ' N ' HD12 ' A' ' 461' ' ' ILE . 1.7 mp -52.96 -43.85 48.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.448 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -46.4 -33.54 3.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.638 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.62 -26.99 19.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.61 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 30.6 p -65.07 -34.87 79.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.637 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.0 pp -89.91 -23.46 21.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.673 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -89.51 0.33 80.38 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -90.98 -38.35 12.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.878 0.37 . . . . 1.0 110.659 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 470' ' ' ASP . 8.3 mt -64.95 -77.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.746 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -46.45 -16.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.697 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.5 OUTLIER -80.58 -37.17 31.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.492 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -102.94 -52.76 2.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.489 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 9.5 mmtm -85.02 -80.32 0.21 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.541 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 120.023 -1.673 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 446' ' ' ACE . . . . . 0.656 ' H1 ' ' OE1' ' A' ' 449' ' ' GLN . . . . . . . . 0 C--O 1.23 0.05 . . . . . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -92.35 -35.96 13.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.734 0.302 . . . . 1.0 110.538 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.96 -9.74 59.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.593 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 449' ' ' GLN . . . . . 0.656 ' OE1' ' H1 ' ' A' ' 446' ' ' ACE . 18.4 mp0 -89.85 -13.98 35.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.572 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.515 ' CD1' ' O ' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -90.18 -23.36 21.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.517 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 6.1 mt -78.06 -51.92 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.503 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 452' ' ' ILE . . . . . 0.41 HD13 HG21 ' A' ' 452' ' ' ILE . 7.6 tt -50.16 -29.93 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.567 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -64.65 -46.74 81.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.566 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 0.475 ' O ' ' N ' ' A' ' 457' ' ' LEU . 41.9 m-85 -83.75 13.18 4.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.66 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 42.2 66.91 0.95 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.786 -0.926 . . . . 1.0 110.786 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . 54.12 11.59 2.42 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.816 -0.914 . . . . 1.0 110.816 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 454' ' ' TYR . 0.6 OUTLIER 61.94 16.22 7.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.942 0.401 . . . . 1.0 110.362 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -88.09 13.81 10.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.423 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -95.65 29.29 9.97 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -140.55 -54.57 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 1.0 110.606 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.509 ' N ' HD12 ' A' ' 461' ' ' ILE . 1.7 mp -51.3 -40.58 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.389 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -59.9 -28.48 67.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.544 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 463' ' ' PHE . . . . . 0.581 ' CD1' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -90.78 -46.57 8.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.57 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 464' ' ' SER . . . . . 0.581 ' N ' ' CD1' ' A' ' 463' ' ' PHE . 11.6 p -57.84 -13.7 4.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.634 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.9 mp -89.74 -47.28 8.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.627 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -82.01 0.78 88.17 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.029 -0.828 . . . . 1.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -90.73 -38.45 13.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 1.0 110.728 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 470' ' ' ASP . 8.5 mt -62.66 -77.63 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.8 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -43.9 -19.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.524 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 468' ' ' LEU . 1.3 m-20 -78.08 -39.46 41.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.445 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 471' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 468' ' ' LEU . 7.9 mttt -106.84 -55.97 2.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.615 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 472' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 468' ' ' LEU . 26.4 mmtt -78.21 -24.52 47.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.536 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.383 0 O-C-N 119.975 -1.703 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -144.74 -36.93 0.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.73 0.3 . . . . 1.0 110.512 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -67.6 -31.48 71.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.594 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -71.01 -15.05 62.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.624 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' ' 450' ' ' PHE . 35.8 m-85 -90.08 -42.33 11.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.561 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 451' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 456' ' ' GLY . 16.4 mt -67.41 -56.86 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.631 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 2.9 tt -55.58 -15.5 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.569 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -85.55 -30.46 23.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.658 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 456' ' ' GLY . 70.3 m-85 -140.98 -70.34 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.478 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -41.6 -21.6 0.07 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 456' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -102.36 -48.66 1.29 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.508 ' O ' ' N ' ' A' ' 459' ' ' GLY . 15.2 tp -61.71 -64.24 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.35 . . . . 1.0 110.441 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 458' ' ' ARG . . . . . 0.412 ' C ' ' H ' ' A' ' 460' ' ' ALA . 0.0 OUTLIER -40.69 -22.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.529 -179.875 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 459' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 457' ' ' LEU . . . -76.56 38.01 1.43 Allowed Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.048 -0.821 . . . . 1.0 111.048 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 460' ' ' ALA . . . . . 0.412 ' H ' ' C ' ' A' ' 458' ' ' ARG . . . -139.38 -55.14 0.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.894 0.378 . . . . 1.0 110.594 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.537 ' N ' HD12 ' A' ' 461' ' ' ILE . 1.7 mp -54.9 -45.49 75.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.531 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -47.69 -36.7 11.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.601 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.74 -39.32 12.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.61 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 1.1 p -57.33 -35.45 69.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.708 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.793 HD23 ' N ' ' A' ' 466' ' ' GLY . 0.0 OUTLIER -90.74 -24.96 20.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 1.0 109.995 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 466' ' ' GLY . . . . . 0.793 ' N ' HD23 ' A' ' 465' ' ' LEU . . . -90.58 2.33 80.26 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -91.25 -39.85 11.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.718 0.294 . . . . 1.0 110.879 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 470' ' ' ASP . 1.5 mt -66.66 -76.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.97 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -45.76 -15.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.635 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 468' ' ' LEU . 26.0 t70 -94.18 -32.03 13.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.511 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 471' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 468' ' ' LEU . 11.5 mmmt -123.23 -60.08 1.52 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.535 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 472' ' ' LYS . . . . . 0.462 ' CG ' ' N ' ' A' ' 473' ' ' NH2 . 0.5 OUTLIER 42.9 -131.39 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.585 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 473' ' ' NH2 . . . . . 0.462 ' N ' ' CG ' ' A' ' 472' ' ' LYS . . . . . . . . 0 C--N 1.304 -1.399 0 O-C-N 120.109 -1.62 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 447' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 450' ' ' PHE . 6.1 mtmt -92.74 -34.14 14.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.735 0.302 . . . . 1.0 110.476 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.51 -21.5 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.52 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -90.29 -21.8 21.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.55 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 447' ' ' LYS . 0.0 OUTLIER -90.91 -23.0 20.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.565 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 451' ' ' ILE . . . . . 0.415 ' C ' ' N ' ' A' ' 453' ' ' ALA . 5.5 mt -81.52 -53.38 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.495 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 452' ' ' ILE . . . . . 0.403 HG21 HD13 ' A' ' 452' ' ' ILE . 7.9 tt -51.53 -13.49 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.477 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 453' ' ' ALA . . . . . 0.415 ' N ' ' C ' ' A' ' 451' ' ' ILE . . . -86.73 -35.98 18.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.544 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 0.408 ' O ' ' N ' ' A' ' 456' ' ' GLY . 26.8 m-85 -138.09 -67.87 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.569 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -41.1 -27.6 0.22 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.029 -0.828 . . . . 1.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 456' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -102.16 -57.55 0.81 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 14.9 tp -60.68 -67.92 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.769 0.319 . . . . 1.0 110.372 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 458' ' ' ARG . . . . . 0.434 ' C ' ' N ' ' A' ' 460' ' ' ALA . 4.2 tpt85 68.47 50.99 0.67 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.521 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -46.67 -17.75 0.3 Allowed Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 460' ' ' ALA . . . . . 0.434 ' N ' ' C ' ' A' ' 458' ' ' ARG . . . -54.61 -17.58 3.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.679 0.276 . . . . 1.0 110.52 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.516 ' N ' HD12 ' A' ' 461' ' ' ILE . 1.5 mp -90.13 -40.49 12.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.477 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -64.01 -31.94 73.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.557 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 463' ' ' PHE . . . . . 0.475 ' CD2' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -80.7 -48.93 11.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.551 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 464' ' ' SER . . . . . 0.475 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 4.3 t -49.6 -38.23 30.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.485 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.479 ' C ' ' H ' ' A' ' 467' ' ' TYR . 3.8 mp -70.06 -65.46 0.72 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.543 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -58.42 -2.5 1.07 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 467' ' ' TYR . . . . . 0.479 ' H ' ' C ' ' A' ' 465' ' ' LEU . 3.4 t80 -91.31 -57.99 2.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.705 0.288 . . . . 1.0 110.739 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 470' ' ' ASP . 2.0 mt -59.58 -71.96 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.073 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -45.61 -13.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.739 0.305 . . . . 1.0 110.921 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 468' ' ' LEU . 24.4 t0 -99.08 -29.36 12.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.756 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 471' ' ' LYS . . . . . 0.67 ' HZ2' ' HB2' ' A' ' 471' ' ' LYS . 0.0 OUTLIER -96.04 -24.97 16.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 1.0 111.109 -179.558 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -77.06 153.19 34.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.51 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.31 0 O-C-N 120.005 -1.685 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 447' ' ' LYS . . . . . 0.531 ' HZ1' HH12 ' A' ' 458' ' ' ARG . 0.0 OUTLIER -155.06 -70.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.762 0.315 . . . . 1.0 110.532 . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -55.74 -11.73 1.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.567 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -90.22 -17.73 26.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.597 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.689 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 61.8 m-85 -90.67 -47.06 7.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.536 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 11.6 mt -53.36 -63.02 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.637 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 19.5 pt -47.79 -24.37 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.498 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 453' ' ' ALA . . . . . 0.689 ' HB3' ' O ' ' A' ' 450' ' ' PHE . . . -66.9 -42.87 84.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 0.432 ' HB3' ' H ' ' A' ' 458' ' ' ARG . 80.0 m-85 -91.84 -11.18 37.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.457 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 455' ' ' GLY . . . . . 0.485 ' C ' ' H ' ' A' ' 457' ' ' LEU . . . 74.46 58.96 4.0 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . 70.9 -39.93 0.53 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.892 -0.883 . . . . 1.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.485 ' H ' ' C ' ' A' ' 455' ' ' GLY . 15.0 tp -41.65 -64.45 0.57 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.812 0.339 . . . . 1.0 110.453 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 458' ' ' ARG . . . . . 0.531 HH12 ' HZ1' ' A' ' 447' ' ' LYS . 4.6 tpt180 64.78 50.52 2.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.595 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 459' ' ' GLY . . . . . 0.429 ' C ' ' N ' ' A' ' 461' ' ' ILE . . . -44.51 -26.2 0.98 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -46.16 -19.1 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 1.0 110.582 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.502 ' N ' HD12 ' A' ' 461' ' ' ILE . 1.5 mp -90.48 -49.1 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.408 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -56.15 -30.88 62.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.617 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 463' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 467' ' ' TYR . 0.0 OUTLIER -87.13 -47.42 8.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.58 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 464' ' ' SER . . . . . 0.457 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 27.8 t -52.96 -36.61 60.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.566 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.788 HD23 ' N ' ' A' ' 466' ' ' GLY . 0.0 OUTLIER -91.0 -24.64 20.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 1.0 109.97 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 466' ' ' GLY . . . . . 0.788 ' N ' HD23 ' A' ' 465' ' ' LEU . . . -91.12 0.08 75.02 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 467' ' ' TYR . . . . . 0.479 ' N ' ' O ' ' A' ' 463' ' ' PHE . 2.6 t80 -90.34 -36.47 14.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.771 0.32 . . . . 1.0 110.655 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.457 ' C ' ' N ' ' A' ' 470' ' ' ASP . 8.2 mt -65.54 -78.49 0.05 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.703 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -45.97 -17.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.637 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.457 ' N ' ' C ' ' A' ' 468' ' ' LEU . 0.7 OUTLIER -79.68 -38.52 33.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.446 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 471' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 468' ' ' LEU . 4.1 mmtp -103.71 -47.62 4.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.616 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 472' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 468' ' ' LEU . 11.1 mmtm -71.17 47.03 0.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.62 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.002 -1.686 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 447' ' ' LYS . . . . . 0.435 ' NZ ' HD11 ' A' ' 451' ' ' ILE . 10.5 ttpp -150.5 -37.08 0.14 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.861 0.362 . . . . 1.0 110.56 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -75.6 -32.52 60.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.613 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -63.09 -19.35 64.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.555 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -90.8 -29.73 17.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.457 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 451' ' ' ILE . . . . . 0.435 HD11 ' NZ ' ' A' ' 447' ' ' LYS . 13.0 mt -71.35 -59.22 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.575 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 2.0 pp -57.35 -29.75 33.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.522 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -75.49 -18.75 59.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.51 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 0.441 ' O ' ' CD2' ' A' ' 457' ' ' LEU . 0.7 OUTLIER -89.98 -38.44 13.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.567 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 117.71 26.03 2.94 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.84 -0.904 . . . . 1.0 110.84 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . 40.98 34.18 0.77 Allowed Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.985 -0.846 . . . . 1.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 459' ' ' GLY . 0.5 OUTLIER -81.26 -34.25 32.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.751 0.31 . . . . 1.0 110.6 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 41.69 21.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.682 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 459' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 457' ' ' LEU . . . -105.0 17.53 44.63 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -131.46 -29.63 1.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.793 0.33 . . . . 1.0 110.695 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.695 ' N ' HD12 ' A' ' 461' ' ' ILE . 1.7 mp -85.3 -47.93 16.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.41 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -46.76 -29.36 1.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.574 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.48 -36.03 14.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.586 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 33.8 m -57.55 -41.11 80.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.579 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.0 pp -85.95 -23.4 26.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.653 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -90.0 1.06 79.95 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.938 -0.865 . . . . 1.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -91.92 -38.01 12.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.719 0.295 . . . . 1.0 110.648 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 470' ' ' ASP . 8.5 mt -62.82 -79.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.722 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -43.17 -21.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.607 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.2 OUTLIER -73.22 -44.48 59.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.366 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 471' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 468' ' ' LEU . 10.5 mmtm -94.8 -48.44 6.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.572 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.54 1.2 3.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.477 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 119.959 -1.713 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -103.15 -43.16 5.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.761 0.315 . . . . 1.0 110.507 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.46 -19.68 27.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.597 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -91.15 -6.72 53.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.601 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.426 ' CD1' ' C ' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -90.89 -35.74 14.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.432 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 451' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 456' ' ' GLY . 56.2 mt -65.8 -53.76 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.212 179.649 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 1.7 mp -52.75 -27.69 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.238 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -70.45 -38.85 74.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.676 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 0.524 ' O ' ' N ' ' A' ' 456' ' ' GLY . 33.3 m-85 -136.98 -67.09 0.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.933 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -43.61 -16.62 0.04 OUTLIER Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.111 -0.796 . . . . 1.0 111.111 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 456' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -108.71 -69.29 0.65 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.738 -0.945 . . . . 1.0 110.738 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 459' ' ' GLY . 13.9 tp -56.73 -73.66 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.862 0.363 . . . . 1.0 110.032 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 458' ' ' ARG . . . . . 1.025 HH21 ' HB3' ' A' ' 462' ' ' ALA . 0.3 OUTLIER -41.58 -22.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.2 -179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 459' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 457' ' ' LEU . . . -70.64 44.16 0.62 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.107 -0.797 . . . . 1.0 111.107 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 460' ' ' ALA . . . . . 0.404 ' H ' ' C ' ' A' ' 458' ' ' ARG . . . -161.25 -30.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.767 0.318 . . . . 1.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.639 ' N ' HD12 ' A' ' 461' ' ' ILE . 1.7 mp -69.1 -45.8 79.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.758 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 462' ' ' ALA . . . . . 1.025 ' HB3' HH21 ' A' ' 458' ' ' ARG . . . -68.64 -31.81 71.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.794 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 463' ' ' PHE . . . . . 0.562 ' CD1' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -83.64 -41.39 17.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.608 -179.859 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 464' ' ' SER . . . . . 0.562 ' N ' ' CD1' ' A' ' 463' ' ' PHE . 28.0 t -60.0 -24.55 64.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.583 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 1.9 mp -78.01 -63.55 1.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.605 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -62.82 -21.34 63.11 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.01 -0.836 . . . . 1.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -56.82 -31.42 64.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.781 0.324 . . . . 1.0 110.644 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.401 ' C ' ' H ' ' A' ' 470' ' ' ASP . 7.0 mt -71.21 -71.17 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.746 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 469' ' ' LEU . . . . . 0.595 ' H ' HD23 ' A' ' 469' ' ' LEU . 0.1 OUTLIER -56.68 -8.78 0.62 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.654 -179.76 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.401 ' H ' ' C ' ' A' ' 468' ' ' LEU . 13.9 t0 -90.86 -37.42 13.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.259 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 17.7 mmtt -102.22 -54.21 2.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.58 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -94.74 -79.39 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.669 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 120.119 -1.613 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -101.4 -36.42 8.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.764 0.316 . . . . 1.0 110.527 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -74.11 -29.08 61.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.55 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -69.21 -4.86 19.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.568 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -91.23 -49.54 6.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.471 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.53 -56.45 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.579 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 2.0 pp -56.69 -10.4 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.498 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 453' ' ' ALA . . . . . 0.513 ' O ' ' CD1' ' A' ' 454' ' ' TYR . . . -90.47 -33.89 15.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.485 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 0.513 ' CD1' ' O ' ' A' ' 453' ' ' ALA . 13.3 m-85 -138.77 -67.45 0.46 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.743 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -40.62 -27.54 0.17 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.985 -0.846 . . . . 1.0 110.985 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 456' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -76.23 -60.15 3.15 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.083 -0.807 . . . . 1.0 111.083 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.532 HD12 ' C ' ' A' ' 457' ' ' LEU . 1.2 pp -64.69 -25.44 67.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.673 0.273 . . . . 1.0 110.582 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.3 -9.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.409 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 459' ' ' GLY . . . . . 0.485 ' H ' ' C ' ' A' ' 457' ' ' LEU . . . -54.07 -21.72 18.57 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.033 -0.827 . . . . 1.0 111.033 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -78.86 -16.84 56.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.847 0.356 . . . . 1.0 110.566 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.643 ' N ' HD12 ' A' ' 461' ' ' ILE . 1.6 mp -91.28 -54.25 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.434 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -50.68 -38.4 46.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.618 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 463' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 463' ' ' PHE . 0.0 OUTLIER -69.32 -38.6 78.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.337 -179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.35 -16.69 64.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.496 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.464 ' C ' ' H ' ' A' ' 467' ' ' TYR . 2.3 mm? -81.26 -69.14 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.525 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -61.85 0.82 1.48 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 467' ' ' TYR . . . . . 0.464 ' H ' ' C ' ' A' ' 465' ' ' LEU . 2.9 t80 -87.98 -36.28 17.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.818 0.342 . . . . 1.0 110.771 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 470' ' ' ASP . 8.7 mt -62.35 -72.12 0.14 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.972 -179.618 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 2.0 pp -46.08 -15.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.465 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 468' ' ' LEU . 1.4 m-20 -94.26 -33.81 13.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.631 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 471' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.0 OUTLIER -87.29 -21.58 25.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.651 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -70.8 -28.57 64.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.548 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 120.029 -1.669 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.069 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt -148.94 -36.94 0.17 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.751 0.31 . . . . 1.0 110.518 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -72.5 -19.46 61.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.625 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -84.02 -21.34 31.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.512 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.706 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 29.6 m-85 -90.79 -38.81 12.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.567 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 451' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 454' ' ' TYR . 9.7 mt -52.17 -66.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.552 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 452' ' ' ILE . . . . . 0.427 ' N ' HG22 ' A' ' 451' ' ' ILE . 1.8 pp -43.15 -21.06 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.402 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 453' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 450' ' ' PHE . . . -78.27 -39.76 39.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.395 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 0.52 ' O ' ' N ' ' A' ' 456' ' ' GLY . 46.2 m-85 -135.37 -63.54 0.67 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.763 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -40.87 -22.15 0.05 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 456' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -88.55 -75.27 1.29 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.638 -0.985 . . . . 1.0 110.638 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.889 HD12 ' O ' ' A' ' 457' ' ' LEU . 0.3 OUTLIER -52.92 -17.59 1.5 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.083 0.468 . . . . 1.0 109.966 179.779 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.14 38.95 0.52 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.686 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -68.94 -14.23 67.69 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -51.83 -19.77 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 1.0 110.445 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.688 ' N ' HD12 ' A' ' 461' ' ' ILE . 1.7 mp -91.45 -53.16 9.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.365 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -50.54 -37.4 39.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.703 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 463' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 463' ' ' PHE . 0.0 OUTLIER -70.72 -37.73 73.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.375 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 44.8 t -68.47 -11.65 60.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.474 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -86.52 -59.29 2.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.578 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -71.68 1.38 30.01 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 111.049 -0.82 . . . . 1.0 111.049 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -90.14 -34.87 15.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.717 0.294 . . . . 1.0 110.675 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 472' ' ' LYS . 8.3 mt -66.51 -76.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.79 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -45.46 -16.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.735 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.469 ' N ' ' C ' ' A' ' 468' ' ' LEU . 5.2 t70 -87.68 -42.99 12.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.54 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 5.9 mmtm -105.21 -52.57 2.81 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.595 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 472' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 468' ' ' LEU . 4.3 tptm -54.53 139.33 38.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.578 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.976 -1.702 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -101.25 -41.61 6.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 1.0 110.55 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 448' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 449' ' ' GLN . 29.9 p-10 -60.79 -23.78 65.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.628 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 449' ' ' GLN . . . . . 0.482 ' N ' ' OD1' ' A' ' 448' ' ' ASP . 23.9 mm-40 -90.04 -17.06 28.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.576 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.514 ' CD1' ' O ' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -90.28 -24.37 20.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.524 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 11.3 mt -79.58 -55.05 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.523 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 15.4 tt -52.3 -31.2 14.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.579 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -65.39 -29.79 70.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.533 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -88.06 -18.06 29.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 93.01 21.44 30.45 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.954 -0.859 . . . . 1.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . 41.75 43.28 4.05 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.479 ' C ' ' H ' ' A' ' 459' ' ' GLY . 1.8 pp -71.14 -23.36 62.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.825 0.345 . . . . 1.0 110.593 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 458' ' ' ARG . . . . . 0.463 ' C ' ' H ' ' A' ' 460' ' ' ALA . 2.1 mpt_? -50.06 -11.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.423 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 459' ' ' GLY . . . . . 0.479 ' H ' ' C ' ' A' ' 457' ' ' LEU . . . -50.63 -10.16 0.35 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.872 -0.891 . . . . 1.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 460' ' ' ALA . . . . . 0.463 ' H ' ' C ' ' A' ' 458' ' ' ARG . . . -94.58 -25.82 16.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.885 0.374 . . . . 1.0 110.587 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.533 ' N ' HD12 ' A' ' 461' ' ' ILE . 1.6 mp -83.54 -54.2 9.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.566 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -48.9 -30.28 5.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.593 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 463' ' ' PHE . . . . . 0.471 ' O ' ' N ' ' A' ' 467' ' ' TYR . 0.0 OUTLIER -87.7 -41.11 13.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.702 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 43.8 t -59.74 -36.99 77.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.644 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.789 HD23 ' N ' ' A' ' 466' ' ' GLY . 0.0 OUTLIER -90.88 -25.31 19.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 1.0 109.87 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 466' ' ' GLY . . . . . 0.789 ' N ' HD23 ' A' ' 465' ' ' LEU . . . -93.05 1.2 70.1 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.895 -0.882 . . . . 1.0 110.895 179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 467' ' ' TYR . . . . . 0.471 ' N ' ' O ' ' A' ' 463' ' ' PHE . 9.2 t80 -84.48 -39.83 18.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.69 0.281 . . . . 1.0 110.822 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 472' ' ' LYS . 8.6 mt -62.21 -66.86 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.717 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 469' ' ' LEU . . . . . 0.704 ' H ' HD23 ' A' ' 469' ' ' LEU . 0.0 OUTLIER -50.98 -23.7 3.11 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.686 -179.834 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -75.57 -38.55 59.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.49 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -105.48 -65.03 1.08 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.546 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 472' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 468' ' ' LEU . 33.1 mmtm -93.84 88.42 5.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.638 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 120.053 -1.654 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -153.02 -36.84 0.11 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.718 0.294 . . . . 1.0 110.566 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -73.82 -15.08 61.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.589 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -90.28 -20.51 22.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.556 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' A' ' 450' ' ' PHE . 27.1 m-85 -90.7 -27.21 19.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.49 -179.902 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 9.5 mt -64.21 -56.57 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.604 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 5.2 pt -51.89 -39.18 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.56 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -61.03 -39.9 91.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.387 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -78.22 -12.65 60.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.388 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 455' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 457' ' ' LEU . . . 68.45 51.67 30.41 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.817 -0.913 . . . . 1.0 110.817 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . 56.82 4.83 1.07 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.991 -0.843 . . . . 1.0 110.991 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.495 ' C ' ' H ' ' A' ' 459' ' ' GLY . 44.8 tp -67.66 -48.61 66.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.787 0.327 . . . . 1.0 110.408 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.67 -39.05 0.44 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.595 -179.863 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 459' ' ' GLY . . . . . 0.495 ' H ' ' C ' ' A' ' 457' ' ' LEU . . . 83.34 4.65 89.38 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.719 -0.952 . . . . 1.0 110.719 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -132.36 -33.22 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.742 0.306 . . . . 1.0 110.573 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 461' ' ' ILE . 1.5 mp -75.26 -41.85 43.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -55.7 -32.74 63.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.548 -179.921 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 463' ' ' PHE . . . . . 0.438 ' O ' ' N ' ' A' ' 467' ' ' TYR . 0.0 OUTLIER -89.66 -44.59 9.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.653 -179.899 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 464' ' ' SER . . . . . 0.409 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 19.7 t -54.7 -36.43 64.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.635 -179.904 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.795 HD23 ' N ' ' A' ' 466' ' ' GLY . 0.0 OUTLIER -90.83 -25.12 20.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 1.0 109.886 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 466' ' ' GLY . . . . . 0.795 ' N ' HD23 ' A' ' 465' ' ' LEU . . . -90.93 1.53 78.1 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.883 -0.887 . . . . 1.0 110.883 179.776 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 467' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 463' ' ' PHE . 0.8 OUTLIER -88.66 -38.03 15.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.778 0.323 . . . . 1.0 110.73 -179.854 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 470' ' ' ASP . 1.5 mp -65.1 -77.79 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.764 -179.878 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -45.15 -17.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.683 -179.844 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 468' ' ' LEU . 4.5 t0 -84.8 -43.64 14.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.386 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 10.0 mmtm -103.65 -60.78 1.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.517 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 34.5 tptt -56.2 107.53 0.37 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.39 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.388 0 O-C-N 120.102 -1.624 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -88.11 -27.91 21.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.769 0.318 . . . . 1.0 110.855 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -98.0 -9.07 26.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.106 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.55 -20.26 22.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.862 -0.608 . . . . 1.0 109.937 179.775 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.515 ' CD1' ' O ' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -86.6 -18.29 31.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.256 179.757 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 13.5 mt -80.3 -49.76 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.356 179.762 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 1.8 pp -53.14 -23.77 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.357 179.776 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -83.26 -22.75 32.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.761 -179.843 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 0.521 ' O ' ' N ' ' A' ' 456' ' ' GLY . 76.4 m-85 -136.48 -83.11 0.37 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.893 -179.766 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -39.2 -23.39 0.03 OUTLIER Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.18 -0.768 . . . . 1.0 111.18 -179.747 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 456' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -102.41 -33.84 4.38 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.481 ' C ' ' H ' ' A' ' 459' ' ' GLY . 15.0 tp -77.43 -74.8 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 1.0 110.422 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 458' ' ' ARG . . . . . 0.408 ' CB ' ' O ' ' A' ' 457' ' ' LEU . 0.0 OUTLIER 74.46 -33.45 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.543 179.869 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 459' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' A' ' 457' ' ' LEU . . . 83.01 -21.62 7.76 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -103.59 -23.59 13.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 1.0 110.494 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.446 ' N ' HD12 ' A' ' 461' ' ' ILE . 1.5 mp -90.43 -37.1 9.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.346 179.916 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -63.53 -27.82 69.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.648 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 463' ' ' PHE . . . . . 0.591 ' CD2' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -81.13 -51.23 8.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.647 -179.928 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 464' ' ' SER . . . . . 0.591 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 4.1 t -60.44 -13.58 14.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.675 -179.756 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.8 mp -89.82 -53.13 4.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.653 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 466' ' ' GLY . . . . . 0.415 ' O ' ' OD2' ' A' ' 470' ' ' ASP . . . -81.92 -10.41 84.06 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.037 -0.825 . . . . 1.0 111.037 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 467' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 463' ' ' PHE . 0.2 OUTLIER -53.01 -39.7 63.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.647 0.261 . . . . 1.0 110.874 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 472' ' ' LYS . 1.7 mp -64.63 -71.28 0.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.013 -179.605 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 469' ' ' LEU . . . . . 0.671 ' H ' HD23 ' A' ' 469' ' ' LEU . 0.1 OUTLIER -53.52 -10.78 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.825 -179.652 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.415 ' OD2' ' O ' ' A' ' 466' ' ' GLY . 67.1 m-20 -93.81 -34.57 13.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.436 179.84 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 29.6 mmtm -111.61 -52.92 2.75 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.537 179.898 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 472' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' A' ' 468' ' ' LEU . 1.1 tmtt? -42.03 -63.11 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.525 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.313 0 O-C-N 120.106 -1.621 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.42 -68.83 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.808 0.337 . . . . 1.0 110.499 . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.92 -26.74 67.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.584 -179.926 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -69.22 -13.68 62.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.614 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -90.11 -42.84 10.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.494 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 10.6 mt -75.03 -51.47 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.495 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 452' ' ' ILE . . . . . 0.496 ' O ' HG22 ' A' ' 452' ' ' ILE . 60.1 mt -56.51 -9.81 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.497 179.869 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -90.06 -33.03 16.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.657 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 0.449 ' O ' ' N ' ' A' ' 456' ' ' GLY . 32.4 m-85 -135.92 -74.63 0.44 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.66 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -41.01 -25.27 0.11 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.018 -0.833 . . . . 1.0 111.018 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 456' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -103.62 -54.11 0.84 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.522 ' O ' ' N ' ' A' ' 459' ' ' GLY . 14.9 tp -45.47 -66.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.73 0.3 . . . . 1.0 110.373 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 458' ' ' ARG . . . . . 0.493 ' C ' ' H ' ' A' ' 460' ' ' ALA . 2.4 mpt_? -42.02 -20.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.577 -179.822 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 459' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 457' ' ' LEU . . . -73.45 33.6 0.82 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.98 -0.848 . . . . 1.0 110.98 179.885 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 460' ' ' ALA . . . . . 0.493 ' H ' ' C ' ' A' ' 458' ' ' ARG . . . -136.99 -57.76 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.368 . . . . 1.0 110.608 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.52 ' N ' HD12 ' A' ' 461' ' ' ILE . 1.7 mp -51.23 -37.85 18.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.473 179.901 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -62.71 -27.45 69.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.63 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -86.72 -44.11 12.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.568 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 3.2 t -57.59 -24.12 54.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.564 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 4.4 mp -85.12 -44.51 12.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.556 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -78.98 0.61 78.13 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -88.83 -37.68 15.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 1.0 110.55 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.459 ' C ' ' N ' ' A' ' 470' ' ' ASP . 8.3 mt -65.15 -77.1 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.703 -179.778 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 2.0 pp -46.55 -16.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.634 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.459 ' N ' ' C ' ' A' ' 468' ' ' LEU . 0.6 OUTLIER -80.38 -38.17 30.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.535 179.9 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 471' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 468' ' ' LEU . 13.6 mmtt -103.46 -59.84 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.58 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm -86.54 71.49 10.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.52 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 120.017 -1.677 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.01 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 447' ' ' LYS . . . . . 0.486 ' NZ ' HD11 ' A' ' 451' ' ' ILE . 8.2 ttpp -148.12 -36.8 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 1.0 110.567 . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 448' ' ' ASP . . . . . 0.409 ' O ' ' OD1' ' A' ' 448' ' ' ASP . 26.0 t0 -73.28 -18.34 61.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.625 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -78.66 -19.38 52.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.555 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.446 ' N ' ' CD1' ' A' ' 450' ' ' PHE . 26.6 m-85 -90.62 -30.54 17.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.534 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 451' ' ' ILE . . . . . 0.486 HD11 ' NZ ' ' A' ' 447' ' ' LYS . 11.9 mt -66.27 -59.38 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.506 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 6.0 pt -53.3 -13.11 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.596 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 453' ' ' ALA . . . . . 0.42 ' O ' ' CD1' ' A' ' 454' ' ' TYR . . . -90.73 -24.78 20.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.66 -179.938 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 0.42 ' CD1' ' O ' ' A' ' 453' ' ' ALA . 46.4 m-85 -145.22 -57.66 0.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.748 -179.892 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -60.12 -11.38 18.87 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.088 -0.805 . . . . 1.0 111.088 -179.869 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 456' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 451' ' ' ILE . . . -126.92 -10.49 3.86 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.12 -0.792 . . . . 1.0 111.12 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.425 ' C ' ' CD1' ' A' ' 457' ' ' LEU . 0.2 OUTLIER -64.79 -83.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.128 -0.323 . . . . 1.0 110.128 179.733 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 458' ' ' ARG . . . . . 0.762 ' H ' ' HE ' ' A' ' 458' ' ' ARG . 0.0 OUTLIER 35.1 66.15 0.33 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.364 -0.38 . . . . 1.0 111.156 -179.57 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -102.77 -18.77 14.73 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.747 -0.941 . . . . 1.0 110.747 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -128.02 -7.21 5.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 1.0 110.401 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.52 ' N ' HD12 ' A' ' 461' ' ' ILE . 1.7 mp -90.1 -35.58 7.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.521 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -71.34 -29.02 64.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.517 179.917 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 463' ' ' PHE . . . . . 0.583 ' CG ' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -76.53 -55.83 5.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.595 -180.0 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 464' ' ' SER . . . . . 0.583 ' N ' ' CG ' ' A' ' 463' ' ' PHE . 0.5 OUTLIER -54.76 -9.14 0.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.552 179.956 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.44 HD13 ' O ' ' A' ' 461' ' ' ILE . 1.5 mp -88.86 -63.57 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.556 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -70.35 1.41 19.93 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -90.59 -34.82 15.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.703 0.287 . . . . 1.0 110.687 -179.81 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 470' ' ' ASP . 8.3 mt -66.44 -77.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.915 -179.708 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 469' ' ' LEU . . . . . 0.421 HD23 ' H ' ' A' ' 469' ' ' LEU . 0.3 OUTLIER -45.5 -16.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.786 -179.844 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 468' ' ' LEU . 3.9 t70 -87.08 -42.59 12.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.511 179.864 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 471' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 472' ' ' LYS . 15.7 mmtt -104.64 -59.31 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.524 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 472' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 471' ' ' LYS . 0.1 OUTLIER 39.77 94.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.822 179.866 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.378 0 O-C-N 119.97 -1.706 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -144.19 -36.6 0.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.776 0.322 . . . . 1.0 110.592 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -73.12 -12.36 60.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.627 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -88.94 -21.97 23.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.616 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' A' ' 450' ' ' PHE . 26.0 m-85 -91.09 -34.87 14.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.53 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 11.1 mt -63.96 -50.18 78.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.584 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 12.0 pt -45.53 -32.79 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.228 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 453' ' ' ALA . . . . . 0.517 ' O ' ' CD1' ' A' ' 454' ' ' TYR . . . -84.81 -37.67 20.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.223 179.72 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 0.517 ' CD1' ' O ' ' A' ' 453' ' ' ALA . 21.3 m-85 -140.86 92.32 2.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.57 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 136.14 -18.05 3.78 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . -120.36 11.44 10.54 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.054 -0.819 . . . . 1.0 111.054 179.913 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.691 ' N ' ' HE ' ' A' ' 458' ' ' ARG . 1.1 pp -108.87 -28.85 8.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.628 0.252 . . . . 1.0 110.577 -179.87 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 458' ' ' ARG . . . . . 0.691 ' HE ' ' N ' ' A' ' 457' ' ' LEU . 0.0 OUTLIER -70.42 -7.2 41.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.437 -179.929 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 459' ' ' GLY . . . . . 0.465 ' N ' ' CZ ' ' A' ' 458' ' ' ARG . . . -125.26 16.29 7.17 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.837 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -102.99 -28.63 11.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.771 0.32 . . . . 1.0 110.605 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.71 ' N ' HD12 ' A' ' 461' ' ' ILE . 1.7 mp -89.63 -50.27 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.417 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -47.04 -29.29 2.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.397 179.826 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -91.06 -31.59 16.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.606 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 19.2 t -63.01 -38.46 91.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.758 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 1.9 pp -89.12 -23.48 22.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.675 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -90.11 1.03 79.6 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.966 -0.854 . . . . 1.0 110.966 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -92.03 -38.48 12.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.866 0.365 . . . . 1.0 110.743 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 470' ' ' ASP . 8.5 mt -61.92 -79.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.734 -179.674 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -43.64 -20.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.597 -179.871 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.5 OUTLIER -74.17 -44.47 53.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.486 179.941 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 471' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 468' ' ' LEU . 18.4 mmtt -94.44 -50.29 5.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.599 179.88 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.18 -74.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.556 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 120.047 -1.658 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 447' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 450' ' ' PHE . 0.2 OUTLIER -133.52 -71.83 0.51 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.762 0.315 . . . . 1.0 110.559 . . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.54 -25.55 2.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.547 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -90.25 -18.03 26.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.616 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.686 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 0.0 OUTLIER -90.33 -41.19 11.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.632 179.945 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 451' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 454' ' ' TYR . 5.4 mt -52.13 -65.86 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.534 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 452' ' ' ILE . . . . . 0.437 ' N ' HG22 ' A' ' 451' ' ' ILE . 6.8 pt -44.78 -22.02 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.426 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 453' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 450' ' ' PHE . . . -77.82 -37.29 48.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.521 179.842 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 0.476 ' N ' ' O ' ' A' ' 451' ' ' ILE . 63.0 m-85 -135.57 -62.22 0.7 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.718 -179.95 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -47.27 -14.16 0.16 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 456' ' ' GLY . . . . . 0.472 ' N ' ' C ' ' A' ' 454' ' ' TYR . . . -135.57 33.03 2.47 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.877 -0.889 . . . . 1.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.701 ' N ' ' HE ' ' A' ' 458' ' ' ARG . 51.6 tp -107.83 -35.1 6.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.636 0.255 . . . . 1.0 110.407 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 458' ' ' ARG . . . . . 0.701 ' HE ' ' N ' ' A' ' 457' ' ' LEU . 0.0 OUTLIER -40.52 -22.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 1.0 111.016 -179.737 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 459' ' ' GLY . . . . . 0.642 ' H ' ' CZ ' ' A' ' 458' ' ' ARG . . . -69.34 5.92 4.82 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.026 -0.829 . . . . 1.0 111.026 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 460' ' ' ALA . . . . . 0.425 ' H ' ' C ' ' A' ' 458' ' ' ARG . . . -129.88 -7.58 4.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.728 0.299 . . . . 1.0 110.682 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.517 ' N ' HD12 ' A' ' 461' ' ' ILE . 1.7 mp -90.68 -57.7 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.53 179.881 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -48.64 -28.79 3.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.704 -179.927 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 463' ' ' PHE . . . . . 0.482 ' CD2' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -89.49 -49.88 6.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.615 -179.926 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 464' ' ' SER . . . . . 0.482 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 27.9 t -52.77 -33.68 49.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.525 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.792 HD23 ' N ' ' A' ' 466' ' ' GLY . 0.0 OUTLIER -90.87 -25.46 19.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 1.0 109.874 179.954 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 466' ' ' GLY . . . . . 0.792 ' N ' HD23 ' A' ' 465' ' ' LEU . . . -91.85 0.01 72.56 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 179.813 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 467' ' ' TYR . . . . . 0.471 ' N ' ' O ' ' A' ' 463' ' ' PHE . 1.6 t80 -91.08 -32.29 15.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.677 0.275 . . . . 1.0 110.556 -179.841 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 471' ' ' LYS . 7.1 mt -71.82 -78.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.707 -179.669 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -45.05 -17.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.685 -179.854 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 468' ' ' LEU . 2.0 t70 -81.04 -35.22 32.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.476 179.905 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 471' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 468' ' ' LEU . 24.7 mmtp -109.31 -60.43 1.77 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.473 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 13.2 mmtm -79.95 174.98 11.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.599 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 120.039 -1.663 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.175 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 14.8 mtmt -138.1 -35.44 0.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 1.0 110.576 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 448' ' ' ASP . . . . . 0.5 ' O ' HG22 ' A' ' 452' ' ' ILE . 65.6 m-20 -76.47 -24.31 53.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.695 -179.895 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -79.42 -24.52 42.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.539 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -91.01 -47.06 7.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.43 179.858 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 14.4 mt -60.77 -54.83 29.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.476 179.881 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 452' ' ' ILE . . . . . 0.5 HG22 ' O ' ' A' ' 448' ' ' ASP . 9.3 tt -55.83 -37.27 46.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.424 179.894 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 453' ' ' ALA . . . . . 0.422 ' N ' ' CG2' ' A' ' 452' ' ' ILE . . . -66.16 -23.73 66.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.372 179.895 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -83.87 -42.76 16.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.551 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 120.81 23.32 2.8 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.826 -0.91 . . . . 1.0 110.826 179.889 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . 47.19 23.94 2.0 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.046 -0.822 . . . . 1.0 111.046 179.92 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 459' ' ' GLY . 0.5 OUTLIER -71.28 -35.79 71.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.757 0.313 . . . . 1.0 110.479 179.912 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 45.01 16.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.579 179.8 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 459' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 457' ' ' LEU . . . -81.7 -27.0 48.52 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -85.59 -19.06 31.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.873 0.368 . . . . 1.0 110.541 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.544 ' N ' HD12 ' A' ' 461' ' ' ILE . 1.7 mp -84.19 -48.38 16.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.596 179.916 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -58.7 -30.23 67.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.572 179.868 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 463' ' ' PHE . . . . . 0.49 ' CD2' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -88.29 -47.77 8.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.601 179.965 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 464' ' ' SER . . . . . 0.49 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 13.6 t -51.55 -37.08 47.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.59 -179.914 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.803 HD23 ' N ' ' A' ' 466' ' ' GLY . 0.0 OUTLIER -90.95 -25.29 19.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.289 -0.414 . . . . 1.0 109.986 -179.995 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 466' ' ' GLY . . . . . 0.803 ' N ' HD23 ' A' ' 465' ' ' LEU . . . -91.11 2.47 79.11 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.869 -0.892 . . . . 1.0 110.869 179.76 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 467' ' ' TYR . . . . . 0.476 ' N ' ' O ' ' A' ' 463' ' ' PHE . 0.3 OUTLIER -88.99 -45.74 9.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.753 0.311 . . . . 1.0 110.953 -179.711 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 470' ' ' ASP . 1.2 mt -58.33 -75.86 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.841 -179.765 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -47.62 -12.64 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.81 -179.739 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 468' ' ' LEU . 14.6 t70 -96.97 -31.47 12.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.583 179.9 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 471' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.0 OUTLIER -88.56 -25.98 22.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.567 -179.916 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -67.61 -111.92 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.537 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.307 0 O-C-N 119.917 -1.739 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -141.41 -38.19 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.776 0.322 . . . . 1.0 110.538 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.75 -21.94 34.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.524 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -89.96 -14.25 34.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.593 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.452 ' CD1' ' O ' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -89.97 -24.48 21.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.596 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 43.2 mt -73.41 -59.03 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.569 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 23.0 pt -54.19 -13.77 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.571 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -87.42 -25.81 23.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.514 -179.913 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 456' ' ' GLY . 82.2 m-85 -145.05 -68.3 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.545 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -41.28 -27.34 0.24 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 456' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -101.78 -50.61 1.16 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.005 -0.838 . . . . 1.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.486 ' C ' ' H ' ' A' ' 459' ' ' GLY . 14.9 tp -79.19 -75.3 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.822 0.344 . . . . 1.0 110.335 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 5.8 tpt85 73.47 -36.4 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.578 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 459' ' ' GLY . . . . . 0.486 ' H ' ' C ' ' A' ' 457' ' ' LEU . . . 92.44 -7.98 77.47 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -124.36 -21.61 4.9 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.888 0.375 . . . . 1.0 110.595 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.443 ' N ' HD12 ' A' ' 461' ' ' ILE . 1.5 mp -90.3 -33.64 6.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.332 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -79.5 -27.22 41.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.565 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 463' ' ' PHE . . . . . 0.599 ' CD2' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -79.95 -50.27 10.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.501 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 464' ' ' SER . . . . . 0.599 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 4.7 t -58.63 -14.23 7.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.553 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 1.6 mp -89.96 -45.09 9.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.527 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -84.62 1.2 89.03 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -90.81 -35.73 14.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.334 . . . . 1.0 110.756 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 470' ' ' ASP . 8.5 mt -65.03 -77.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.677 -179.726 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -43.95 -19.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.587 -179.819 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.6 OUTLIER -78.07 -40.56 38.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.49 -179.987 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 471' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 468' ' ' LEU . 10.3 mmtm -103.89 -47.34 4.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.52 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 472' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.2 OUTLIER -72.71 -54.49 8.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.501 -179.944 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.324 0 O-C-N 120.027 -1.67 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 447' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 449' ' ' GLN . 21.6 ttpt -137.65 -66.45 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 1.0 110.588 . . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.55 -13.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.799 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 449' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 447' ' ' LYS . 45.3 mt-30 -88.64 -31.13 18.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.937 -179.667 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.464 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 36.7 m-85 -75.1 -19.16 60.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.34 179.941 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 18.4 mm -67.87 -65.75 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.746 -0.661 . . . . 1.0 110.429 179.819 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 13.7 pt -45.84 -28.06 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.196 179.757 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 453' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 450' ' ' PHE . . . -61.12 -39.32 89.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.338 179.716 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -103.21 -15.71 15.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.296 179.831 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 455' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 457' ' ' LEU . . . 79.91 67.6 1.56 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.18 -0.768 . . . . 1.0 111.18 179.736 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . 41.51 20.96 0.05 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' A' ' 455' ' ' GLY . 14.6 tp -95.21 -65.09 1.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.911 0.386 . . . . 1.0 110.191 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.32 -38.21 0.41 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.651 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 459' ' ' GLY . . . . . 0.495 ' H ' ' C ' ' A' ' 457' ' ' LEU . . . 84.76 -13.42 53.18 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.801 -0.92 . . . . 1.0 110.801 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -113.96 -25.28 8.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.762 0.315 . . . . 1.0 110.55 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.488 ' N ' HD12 ' A' ' 461' ' ' ILE . 1.5 mp -90.67 -33.44 5.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.524 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -79.45 -27.28 41.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.592 179.874 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 463' ' ' PHE . . . . . 0.599 ' CD2' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -80.14 -51.48 8.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.578 -179.951 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 464' ' ' SER . . . . . 0.599 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 32.5 m -55.42 -19.62 9.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.601 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 1.8 mp -86.96 -51.16 6.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.562 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -77.02 0.58 66.25 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.883 -0.887 . . . . 1.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -89.63 -38.06 14.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 1.0 110.651 -179.937 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.451 ' C ' ' N ' ' A' ' 470' ' ' ASP . 8.3 mt -65.18 -76.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.654 -179.788 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -46.92 -16.66 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.659 -179.913 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.451 ' N ' ' C ' ' A' ' 468' ' ' LEU . 0.8 OUTLIER -80.22 -37.9 32.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.546 179.912 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 471' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 468' ' ' LEU . 6.4 mttm -103.01 -48.24 4.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.549 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 7.9 mmtm -84.92 82.27 8.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.54 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 120.02 -1.675 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -143.35 -36.79 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.834 0.349 . . . . 1.0 110.659 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.13 -44.41 87.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.631 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -72.77 -14.52 61.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.545 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 450' ' ' PHE . 33.9 m-85 -88.08 -34.1 18.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.652 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 451' ' ' ILE . . . . . 0.413 ' C ' ' N ' ' A' ' 453' ' ' ALA . 15.7 mt -72.81 -56.87 8.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.532 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 4.0 tt -55.24 -9.33 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.582 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 453' ' ' ALA . . . . . 0.413 ' N ' ' C ' ' A' ' 451' ' ' ILE . . . -90.04 -34.73 15.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.608 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 458' ' ' ARG . 57.6 m-85 -136.84 -66.36 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.664 179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -41.25 -27.95 0.27 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . -104.85 -26.48 6.37 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 179.918 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.496 ' C ' ' H ' ' A' ' 459' ' ' GLY . 42.6 tp -96.69 -57.17 2.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.755 0.312 . . . . 1.0 110.405 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 458' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 454' ' ' TYR . 0.0 OUTLIER 72.58 -35.94 0.34 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.603 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 459' ' ' GLY . . . . . 0.496 ' H ' ' C ' ' A' ' 457' ' ' LEU . . . 79.17 -19.66 5.34 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 179.858 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -101.97 -20.96 14.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.927 0.394 . . . . 1.0 110.626 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 1.4 mp -90.86 -42.24 13.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -59.39 -33.16 70.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.528 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 463' ' ' PHE . . . . . 0.58 ' CD2' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -76.54 -48.15 20.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.619 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 464' ' ' SER . . . . . 0.58 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 83.5 p -57.25 -14.25 4.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.571 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.9 mp -90.02 -47.31 7.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.552 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -83.25 1.03 89.37 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.008 -0.837 . . . . 1.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -90.65 -35.96 14.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.851 0.358 . . . . 1.0 110.69 -179.836 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 472' ' ' LYS . 8.5 mt -64.69 -76.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.771 -179.676 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 2.0 pp -44.13 -19.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.585 -179.798 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.8 OUTLIER -78.73 -40.64 32.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.528 179.948 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 471' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 468' ' ' LEU . 19.8 mttt -104.32 -47.6 4.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.532 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 472' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 468' ' ' LEU . 9.4 mmmt -89.64 139.42 30.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.618 179.928 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 120.117 -1.614 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.06 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 447' ' ' LYS . . . . . 0.441 ' C ' ' H ' ' A' ' 449' ' ' GLN . 0.4 OUTLIER -160.45 -69.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.351 . . . . 1.0 110.359 . . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.69 -8.89 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.627 -179.836 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 449' ' ' GLN . . . . . 0.441 ' H ' ' C ' ' A' ' 447' ' ' LYS . 7.5 mt-30 -90.36 -21.05 22.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.559 -179.948 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.473 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 30.3 m-85 -90.79 -35.0 15.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.6 179.947 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 451' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 456' ' ' GLY . 14.1 mt -58.8 -50.93 77.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.63 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 11.4 pt -57.83 -15.8 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.545 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 453' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 450' ' ' PHE . . . -84.03 -32.19 25.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.64 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 0.511 ' O ' ' N ' ' A' ' 456' ' ' GLY . 76.4 m-85 -139.42 -69.63 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.575 179.937 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -41.46 -21.39 0.06 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.966 -0.853 . . . . 1.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 456' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -96.63 -36.21 5.15 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.022 -0.831 . . . . 1.0 111.022 179.893 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 459' ' ' GLY . 15.1 tp -77.93 -66.27 0.86 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.797 0.332 . . . . 1.0 110.336 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 458' ' ' ARG . . . . . 0.469 ' C ' ' H ' ' A' ' 460' ' ' ALA . 2.4 mpt_? -41.33 -21.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.678 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 459' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 457' ' ' LEU . . . -48.51 -12.74 0.21 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.896 -0.882 . . . . 1.0 110.896 179.859 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 460' ' ' ALA . . . . . 0.469 ' H ' ' C ' ' A' ' 458' ' ' ARG . . . -94.93 -65.49 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 1.0 110.562 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.505 ' N ' HD12 ' A' ' 461' ' ' ILE . 1.7 mp -49.93 -37.72 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.369 179.928 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -58.72 -29.24 66.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.613 180.0 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 463' ' ' PHE . . . . . 0.443 ' CG ' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -82.73 -46.68 12.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.443 179.989 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 464' ' ' SER . . . . . 0.443 ' N ' ' CG ' ' A' ' 463' ' ' PHE . 46.7 m -51.5 -38.11 52.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.662 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.48 ' C ' ' H ' ' A' ' 467' ' ' TYR . 7.6 mp -72.9 -60.2 2.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.586 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -62.36 0.98 1.68 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 467' ' ' TYR . . . . . 0.48 ' H ' ' C ' ' A' ' 465' ' ' LEU . 1.2 t80 -91.75 -40.2 11.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.712 0.292 . . . . 1.0 110.671 -179.843 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 472' ' ' LYS . 2.2 mt -74.08 -70.83 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.941 -179.799 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.25 -11.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.842 -179.759 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.484 ' H ' ' C ' ' A' ' 468' ' ' LEU . 23.2 t0 -102.47 -45.74 4.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.644 179.875 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 29.7 mmtt -102.41 20.27 17.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.623 -179.876 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 472' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 468' ' ' LEU . 13.3 tptt -146.66 58.37 1.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.551 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 120.027 -1.67 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -101.0 -48.08 4.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 1.0 110.585 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.84 -13.2 1.65 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.582 179.95 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -90.03 -16.19 30.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.634 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.26 -26.49 20.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.537 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 451' ' ' ILE . . . . . 0.435 HG22 ' N ' ' A' ' 452' ' ' ILE . 10.0 mt -64.11 -64.69 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.445 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 452' ' ' ILE . . . . . 0.435 ' N ' HG22 ' A' ' 451' ' ' ILE . 1.8 pp -49.09 -25.48 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -80.58 -32.61 36.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.482 179.738 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 0.5 ' O ' ' N ' ' A' ' 456' ' ' GLY . 59.1 m-85 -132.37 -65.8 0.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.76 179.931 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 455' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 451' ' ' ILE . . . -45.4 -14.7 0.07 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.029 -0.828 . . . . 1.0 111.029 -179.942 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 456' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -66.15 -32.64 82.9 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.481 ' C ' ' H ' ' A' ' 459' ' ' GLY . 1.9 pp -78.42 -23.83 46.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.814 0.34 . . . . 1.0 110.651 -179.951 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.27 -0.04 0.5 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.401 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 459' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' A' ' 457' ' ' LEU . . . -56.71 -9.51 3.7 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.009 -0.836 . . . . 1.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -102.27 -12.87 17.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.738 0.304 . . . . 1.0 110.582 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.51 ' N ' HD12 ' A' ' 461' ' ' ILE . 1.5 mp -89.39 -33.75 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.498 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -76.01 -27.28 57.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.546 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 463' ' ' PHE . . . . . 0.6 ' CD2' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -80.74 -48.85 11.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.528 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 464' ' ' SER . . . . . 0.6 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 23.0 t -54.58 -34.98 62.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.528 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 6.0 mp -77.56 -44.87 27.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -79.79 0.56 81.87 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.991 -0.844 . . . . 1.0 110.991 -179.938 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -89.38 -37.93 14.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.739 0.304 . . . . 1.0 110.547 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.458 ' C ' ' N ' ' A' ' 470' ' ' ASP . 8.3 mt -65.21 -76.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.562 -179.72 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -46.66 -16.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.721 -179.931 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.458 ' N ' ' C ' ' A' ' 468' ' ' LEU . 0.5 OUTLIER -80.17 -38.17 31.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.462 179.959 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -102.85 -57.73 2.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.558 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 10.8 mmtm -84.6 177.91 7.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.491 -179.904 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.378 0 O-C-N 120.051 -1.655 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 446' ' ' ACE . . . . . 0.412 ' O ' ' CD1' ' A' ' 450' ' ' PHE . . . . . . . . 0 C--O 1.232 0.158 . . . . . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 20.4 mtmm -138.78 -36.08 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 1.0 110.462 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.71 -27.16 69.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.493 -179.945 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -89.57 -14.01 36.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.566 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.412 ' CD1' ' O ' ' A' ' 446' ' ' ACE . 56.4 m-85 -89.96 -39.55 12.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.535 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 12.3 mt -73.35 -54.63 15.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.551 -179.955 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 6.5 tt -55.56 -9.98 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.576 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -90.04 -31.13 17.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.618 179.952 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 0.445 ' O ' ' N ' ' A' ' 456' ' ' GLY . 57.8 m-85 -139.19 -72.6 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.621 179.883 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -41.04 -25.66 0.13 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 -180.0 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 456' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -101.92 -45.6 1.73 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.892 -0.883 . . . . 1.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.488 ' C ' ' H ' ' A' ' 459' ' ' GLY . 15.0 tp -78.15 -75.07 0.24 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.896 0.379 . . . . 1.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.18 -37.29 0.38 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.555 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 459' ' ' GLY . . . . . 0.488 ' H ' ' C ' ' A' ' 457' ' ' LEU . . . 88.96 -6.52 83.61 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.929 -0.868 . . . . 1.0 110.929 179.947 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -125.54 -22.54 4.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.769 0.318 . . . . 1.0 110.642 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.473 ' N ' HD12 ' A' ' 461' ' ' ILE . 1.5 mp -91.64 -51.8 11.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.454 179.913 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -45.98 -39.86 9.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.71 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 463' ' ' PHE . . . . . 0.406 ' CD1' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -70.6 -35.58 73.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.406 -179.979 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 464' ' ' SER . . . . . 0.406 ' N ' ' CD1' ' A' ' 463' ' ' PHE . 55.2 p -72.19 -7.68 50.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.582 179.885 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -90.29 -54.36 4.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.591 -179.916 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -79.12 -19.7 71.72 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.066 -0.814 . . . . 1.0 111.066 -179.948 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -49.04 -29.64 5.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.789 0.328 . . . . 1.0 110.574 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 472' ' ' LYS . 1.1 mp -76.46 -69.21 0.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.755 -179.846 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 2.0 pp -60.35 -6.48 1.54 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.637 -179.813 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -95.92 -33.59 12.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.519 179.897 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -105.65 -49.32 3.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.544 179.891 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 472' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.5 OUTLIER -73.21 -91.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.61 179.971 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 120.106 -1.621 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -102.04 -43.64 5.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.829 0.347 . . . . 1.0 110.549 . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -57.53 -14.04 4.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.599 179.966 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -87.91 -8.87 55.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.477 -179.969 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.67 -47.05 7.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.445 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 451' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 454' ' ' TYR . 2.7 mp -64.67 -57.02 13.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.676 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 20.0 tt -47.11 -30.1 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.37 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -72.35 -33.94 67.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.391 179.842 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 0.616 ' CE2' ' NH2' ' A' ' 458' ' ' ARG . 4.1 m-85 -76.78 -55.19 5.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.456 179.901 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 135.48 35.87 0.22 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . 41.25 28.56 0.3 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 179.938 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.472 ' C ' ' N ' ' A' ' 459' ' ' GLY . 1.6 pp -79.64 -25.7 41.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.725 0.298 . . . . 1.0 110.576 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 458' ' ' ARG . . . . . 0.616 ' NH2' ' CE2' ' A' ' 454' ' ' TYR . 0.6 OUTLIER -45.65 -17.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.448 179.89 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 459' ' ' GLY . . . . . 0.472 ' N ' ' C ' ' A' ' 457' ' ' LEU . . . -41.05 -31.84 0.52 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -64.92 -66.1 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.889 0.376 . . . . 1.0 110.522 179.899 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.539 ' N ' HD12 ' A' ' 461' ' ' ILE . 1.7 mp -55.58 -48.81 77.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.275 179.883 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -45.57 -35.1 3.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.672 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.45 -26.11 20.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.576 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 4.9 t -66.24 -35.27 79.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.607 -179.94 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.0 pp -89.97 -23.95 21.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.633 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 466' ' ' GLY . . . . . 0.425 ' O ' ' OD2' ' A' ' 470' ' ' ASP . . . -91.02 1.42 77.65 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -90.21 -39.1 13.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.749 0.309 . . . . 1.0 110.776 -179.78 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 468' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.88 -69.13 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.81 -179.592 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 469' ' ' LEU . . . . . 0.714 ' H ' HD23 ' A' ' 469' ' ' LEU . 0.0 OUTLIER -49.57 -21.77 1.08 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.42 -179.855 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.425 ' OD2' ' O ' ' A' ' 466' ' ' GLY . 0.4 OUTLIER -77.63 -37.23 50.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.474 179.932 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 13.9 mttm -112.36 -70.37 0.81 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.602 -179.994 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -72.93 -3.32 25.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.587 179.968 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 119.965 -1.709 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.48 -57.26 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.713 0.292 . . . . 1.0 110.301 . . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.52 -14.22 62.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.547 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -89.45 -12.27 40.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.552 -179.955 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.506 ' CD1' ' O ' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -86.5 -18.8 30.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.493 -179.938 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 29.9 mt -78.16 -57.42 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.491 -179.962 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 9.8 pt -54.93 -12.25 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.547 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 453' ' ' ALA . . . . . 0.403 ' O ' ' CD1' ' A' ' 454' ' ' TYR . . . -88.5 -21.87 23.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.598 -179.978 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 0.403 ' CD1' ' O ' ' A' ' 453' ' ' ALA . 64.1 m-85 -150.33 -65.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.621 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -46.34 -23.44 1.25 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . -98.38 -33.36 5.69 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.891 -0.884 . . . . 1.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.482 ' C ' ' H ' ' A' ' 459' ' ' GLY . 14.9 tp -84.2 -72.95 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.817 0.341 . . . . 1.0 110.301 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 458' ' ' ARG . . . . . 0.425 ' CB ' ' O ' ' A' ' 457' ' ' LEU . 0.1 OUTLIER 75.37 -32.25 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.566 -179.924 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 459' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' A' ' 457' ' ' LEU . . . 86.95 8.22 76.31 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.871 -0.892 . . . . 1.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -143.34 -37.26 0.35 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.815 0.34 . . . . 1.0 110.489 179.985 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.486 ' N ' HD12 ' A' ' 461' ' ' ILE . 1.5 mp -73.84 -34.89 41.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.329 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -69.7 -26.87 64.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.643 179.92 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 463' ' ' PHE . . . . . 0.453 ' CD2' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -89.73 -46.33 8.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.531 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 464' ' ' SER . . . . . 0.453 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 3.9 t -58.08 -15.71 10.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.661 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.3 mp -88.07 -51.36 5.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.603 179.975 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -77.41 0.24 69.8 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -89.8 -38.3 13.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 1.0 110.617 -179.996 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 470' ' ' ASP . 8.3 mt -65.02 -76.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.709 -179.84 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.8 pp -46.82 -16.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.555 -179.921 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.9 OUTLIER -81.13 -38.6 26.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.523 179.944 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 471' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 468' ' ' LEU . 8.1 mttm -103.42 -54.92 2.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.563 -179.984 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.69 -66.76 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.555 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 119.947 -1.72 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.88 -68.42 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.802 0.334 . . . . 1.0 110.5 . . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.65 -29.51 70.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.629 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -66.53 -18.1 65.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.602 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.695 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 71.4 m-85 -91.29 -49.21 6.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.436 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 12.1 mt -54.47 -62.02 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.553 -179.969 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 2.0 pp -49.82 -22.52 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.419 179.957 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 453' ' ' ALA . . . . . 0.695 ' HB3' ' O ' ' A' ' 450' ' ' PHE . . . -67.65 -40.48 84.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.503 179.901 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -94.62 -10.62 31.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.438 179.903 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 455' ' ' GLY . . . . . 0.495 ' C ' ' H ' ' A' ' 457' ' ' LEU . . . 74.42 55.34 5.63 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 179.874 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . 71.81 -37.7 0.62 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.912 -0.875 . . . . 1.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.495 ' H ' ' C ' ' A' ' 455' ' ' GLY . 14.8 tp -41.02 -63.52 0.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.77 0.319 . . . . 1.0 110.422 179.969 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 458' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 460' ' ' ALA . 1.3 tpp85 73.05 47.49 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.418 -179.893 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -40.72 -26.34 0.13 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.915 -0.874 . . . . 1.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 460' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 458' ' ' ARG . . . -46.71 -27.03 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.811 0.339 . . . . 1.0 110.487 -179.956 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.636 ' N ' HD12 ' A' ' 461' ' ' ILE . 1.6 mp -90.53 -50.7 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.284 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -47.86 -29.49 3.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.448 179.905 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.27 -32.51 16.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.649 -179.966 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 22.8 t -63.04 -38.83 92.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.695 -179.938 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.0 pp -87.57 -23.5 24.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.663 -179.857 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 466' ' ' GLY . . . . . 0.422 ' O ' ' OD2' ' A' ' 470' ' ' ASP . . . -90.26 2.15 80.76 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.919 -0.872 . . . . 1.0 110.919 179.925 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -92.14 -40.05 11.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.676 0.274 . . . . 1.0 110.591 -179.966 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 470' ' ' ASP . 8.4 mt -59.32 -77.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.718 -179.652 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -44.2 -19.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.51 -179.764 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.2 OUTLIER -74.64 -47.51 31.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.365 179.744 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -89.83 -43.07 10.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.526 179.859 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -93.6 21.8 6.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.628 179.938 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 120.044 -1.66 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.32 -57.08 2.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.739 0.304 . . . . 1.0 110.372 . . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.05 -14.02 51.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.566 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -90.04 -14.62 33.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.595 179.962 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.523 ' CD1' ' O ' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -84.94 -16.13 42.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.53 -179.922 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 42.0 mt -83.18 -56.28 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.593 179.981 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 1.7 pp -56.48 -13.12 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.522 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -88.8 -29.62 19.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.584 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 456' ' ' GLY . 82.0 m-85 -139.21 -69.14 0.43 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.54 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -41.51 -22.37 0.08 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 179.937 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 456' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -99.1 -48.22 1.76 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.926 -0.869 . . . . 1.0 110.926 -179.944 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 459' ' ' GLY . 15.0 tp -60.66 -63.5 1.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.789 0.328 . . . . 1.0 110.399 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 458' ' ' ARG . . . . . 0.48 ' C ' ' H ' ' A' ' 460' ' ' ALA . 2.5 mpt_? -45.63 -14.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.699 -179.859 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 459' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 457' ' ' LEU . . . -74.3 30.86 0.98 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 179.906 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 460' ' ' ALA . . . . . 0.48 ' H ' ' C ' ' A' ' 458' ' ' ARG . . . -135.72 -60.78 0.73 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.819 0.343 . . . . 1.0 110.525 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.514 ' N ' HD12 ' A' ' 461' ' ' ILE . 1.7 mp -52.03 -35.87 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.445 179.94 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -64.66 -27.45 68.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.591 179.977 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 463' ' ' PHE . . . . . 0.61 ' CD2' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -89.15 -50.22 6.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.548 -179.976 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 464' ' ' SER . . . . . 0.61 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 66.1 m -51.86 -15.96 0.61 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.56 -179.94 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.411 ' C ' ' H ' ' A' ' 467' ' ' TYR . 3.6 mp -87.65 -65.52 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.573 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -65.52 1.49 4.12 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.019 -0.832 . . . . 1.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 467' ' ' TYR . . . . . 0.411 ' H ' ' C ' ' A' ' 465' ' ' LEU . 8.2 t80 -91.35 -39.09 12.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.686 0.279 . . . . 1.0 110.75 -179.919 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 470' ' ' ASP . 8.5 mt -62.94 -77.21 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.649 -179.826 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 469' ' ' LEU . . . . . 0.424 ' H ' HD23 ' A' ' 469' ' ' LEU . 0.3 OUTLIER -44.72 -19.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.591 -179.87 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.9 OUTLIER -76.84 -38.44 53.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.347 179.796 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 471' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 468' ' ' LEU . 26.7 mmtm -102.72 -61.34 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.592 179.865 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -92.0 173.87 7.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.594 179.905 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.383 0 O-C-N 119.996 -1.69 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 446' ' ' ACE . . . . . 0.49 ' O ' ' CD1' ' A' ' 450' ' ' PHE . . . . . . . . 0 C--O 1.231 0.082 . . . . . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -133.13 -49.07 0.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.751 0.31 . . . . 1.0 110.484 . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.97 -23.27 12.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.658 -179.943 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -90.07 -20.64 22.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.66 179.95 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.589 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 30.9 m-85 -90.77 -41.73 11.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.558 -179.939 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 15.8 mt -53.4 -65.1 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.586 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 6.2 pt -50.68 -26.89 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.469 179.946 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 453' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 450' ' ' PHE . . . -68.3 -31.16 70.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.574 179.836 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -85.0 -54.57 4.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.59 179.959 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 455' ' ' GLY . . . . . 0.402 ' C ' ' N ' ' A' ' 457' ' ' LEU . . . 134.81 33.47 0.29 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.867 -0.893 . . . . 1.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . 49.93 16.36 1.21 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.419 ' O ' HD13 ' A' ' 461' ' ' ILE . 1.9 pp -83.05 -23.22 33.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.753 0.311 . . . . 1.0 110.553 -179.958 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 458' ' ' ARG . . . . . 0.573 ' NH1' ' CA ' ' A' ' 459' ' ' GLY . 0.0 OUTLIER -88.89 18.42 4.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.566 -179.991 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 459' ' ' GLY . . . . . 0.573 ' CA ' ' NH1' ' A' ' 458' ' ' ARG . . . -103.66 10.11 52.77 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.666 -0.974 . . . . 1.0 110.666 179.638 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -127.83 -15.26 4.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.746 0.308 . . . . 1.0 110.708 -179.86 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.744 ' N ' HD12 ' A' ' 461' ' ' ILE . 1.7 mp -86.53 -57.09 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.536 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -45.55 -38.83 6.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.693 -179.955 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -35.25 62.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.434 179.944 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 71.8 p -68.6 -10.11 53.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.627 179.863 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.452 ' C ' ' H ' ' A' ' 467' ' ' TYR . 2.1 mm? -84.88 -68.72 0.7 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.433 -179.948 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -63.23 1.5 1.99 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.069 -0.812 . . . . 1.0 111.069 -179.847 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 467' ' ' TYR . . . . . 0.452 ' H ' ' C ' ' A' ' 465' ' ' LEU . 2.6 t80 -90.58 -37.05 14.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.7 0.286 . . . . 1.0 110.784 -179.831 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 470' ' ' ASP . 8.4 mt -63.62 -77.77 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.841 -179.752 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -43.69 -19.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.658 -179.816 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 468' ' ' LEU . 1.1 m-20 -82.78 -41.57 18.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.572 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 471' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 468' ' ' LEU . 10.8 mttm -107.38 -58.0 2.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.542 179.96 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 472' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 468' ' ' LEU . 2.4 tptp -46.96 136.08 8.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.554 -179.973 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.4 0 O-C-N 120.064 -1.647 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.16 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.22 -68.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 1.0 110.583 . . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -84.47 -27.91 27.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.548 -179.977 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -90.12 -14.1 34.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.569 -179.946 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -87.23 -29.64 21.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.578 -179.998 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 451' ' ' ILE . . . . . 0.418 ' C ' ' N ' ' A' ' 453' ' ' ALA . 17.2 mt -69.07 -60.62 2.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.521 -179.997 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 16.6 tt -47.19 -19.79 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.638 179.913 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 453' ' ' ALA . . . . . 0.432 ' O ' ' CD1' ' A' ' 454' ' ' TYR . . . -76.94 -34.37 57.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.515 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 0.483 ' C ' ' H ' ' A' ' 456' ' ' GLY . 34.7 m-85 -142.1 -61.12 0.45 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.652 -179.957 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -49.02 -10.94 0.16 Allowed Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.047 -0.821 . . . . 1.0 111.047 -179.866 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 456' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' A' ' 454' ' ' TYR . . . -126.18 -32.73 0.72 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.81 -0.916 . . . . 1.0 110.81 179.907 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 58.0 tp -100.05 80.78 2.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.882 0.372 . . . . 1.0 110.229 179.911 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 458' ' ' ARG . . . . . 0.493 ' C ' ' H ' ' A' ' 460' ' ' ALA . 16.9 mtm-85 -99.88 34.3 2.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.621 -179.891 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . 52.92 7.83 0.52 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.956 -0.857 . . . . 1.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 460' ' ' ALA . . . . . 0.493 ' H ' ' C ' ' A' ' 458' ' ' ARG . . . -127.22 -15.1 5.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.777 0.323 . . . . 1.0 110.632 -179.922 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.645 ' N ' HD12 ' A' ' 461' ' ' ILE . 1.6 mp -90.92 -42.59 13.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.632 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -66.37 -34.4 77.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.718 -179.904 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 463' ' ' PHE . . . . . 0.619 ' CD1' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -63.08 -42.84 99.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.446 -179.959 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 464' ' ' SER . . . . . 0.619 ' N ' ' CD1' ' A' ' 463' ' ' PHE . 0.0 OUTLIER -68.41 -11.75 60.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.44 179.93 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -90.75 -45.2 8.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.584 -179.929 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -89.91 -14.68 59.02 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.135 -0.786 . . . . 1.0 111.135 -179.832 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -51.05 -30.82 16.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.724 0.297 . . . . 1.0 110.841 -179.71 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.473 ' C ' ' H ' ' A' ' 470' ' ' ASP . 2.5 mp -74.04 -69.57 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.008 -179.704 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 469' ' ' LEU . . . . . 0.57 ' H ' HD23 ' A' ' 469' ' ' LEU . 0.1 OUTLIER -61.75 -0.11 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.783 -179.666 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.473 ' H ' ' C ' ' A' ' 468' ' ' LEU . 22.3 t70 -101.17 -33.87 9.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.318 179.694 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -104.18 -53.08 2.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.54 179.833 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -72.53 -44.48 62.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.52 179.975 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 120.04 -1.662 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -146.52 -36.73 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.35 . . . . 1.0 110.658 . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -68.13 -60.4 2.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.647 -179.971 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -47.28 -23.28 0.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.563 179.993 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -91.14 -46.88 7.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.541 179.878 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 11.6 mt -61.92 -58.62 6.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.552 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 452' ' ' ILE . . . . . 0.47 HG23 ' N ' ' A' ' 453' ' ' ALA . 2.9 tt -51.29 -40.0 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.33 179.949 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 453' ' ' ALA . . . . . 0.47 ' N ' HG23 ' A' ' 452' ' ' ILE . . . -58.15 -28.49 64.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.161 179.608 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 454' ' ' TYR . . . . . 0.461 ' O ' ' N ' ' A' ' 456' ' ' GLY . 14.0 m-85 -103.05 29.75 5.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.87 -0.605 . . . . 1.0 110.167 179.787 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 39.32 27.35 0.08 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.081 -0.808 . . . . 1.0 111.081 179.928 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 456' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . 45.46 26.72 1.69 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.13 -0.788 . . . . 1.0 111.13 179.993 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 458' ' ' ARG . 2.1 pp -62.3 -46.07 90.42 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.856 -0.338 . . . . 1.0 110.344 179.768 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 458' ' ' ARG . . . . . 0.661 ' H ' ' HE ' ' A' ' 458' ' ' ARG . 0.0 OUTLIER 34.11 67.62 0.21 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.147 -0.478 . . . . 1.0 111.252 179.377 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 459' ' ' GLY . . . . . 0.449 ' H ' HD12 ' A' ' 457' ' ' LEU . . . -129.72 -6.66 4.06 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 179.975 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -104.22 -55.71 2.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.836 0.35 . . . . 1.0 110.591 179.936 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.524 ' N ' HD12 ' A' ' 461' ' ' ILE . 1.7 mp -50.76 -39.28 18.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.38 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -59.9 -29.83 68.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.638 179.954 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 463' ' ' PHE . . . . . 0.41 ' CD2' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -84.8 -45.12 12.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.52 -179.959 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 464' ' ' SER . . . . . 0.41 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 4.4 m -58.14 -26.6 62.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.582 -179.994 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 5.4 mp -83.23 -45.11 14.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.578 179.97 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -81.92 0.72 88.12 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 467' ' ' TYR . . . . . 0.401 ' O ' ' CD1' ' A' ' 467' ' ' TYR . 0.2 OUTLIER -79.54 -31.02 41.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.34 . . . . 1.0 110.66 -179.959 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 470' ' ' ASP . 2.5 mp -70.24 -76.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.655 -179.793 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -46.35 -16.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.671 -179.77 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 468' ' ' LEU . 3.1 t70 -82.94 -41.57 18.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.502 179.954 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -102.26 -50.14 3.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.605 179.898 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 472' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 468' ' ' LEU . 2.3 mmmm -72.21 -97.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.517 179.974 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 O-C-N 120.06 -1.65 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.739 0.304 . . . . 1.0 110.546 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . 0.421 ' C ' ' N ' ' A' ' 450' ' ' PHE . 34.6 m-20 -72.89 -46.37 53.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.532 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -49.71 -14.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.661 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.421 ' N ' ' C ' ' A' ' 448' ' ' ASP . 83.0 m-85 -90.12 -37.53 14.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.527 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 16.6 mt -72.24 -55.88 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.549 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 1.8 pp -57.93 -8.59 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.535 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -90.01 -29.5 18.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.605 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.587 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.847 0.356 . . . . 1.0 110.654 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -49.4 75.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.568 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -55.91 -19.3 11.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.546 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -90.71 -47.44 7.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.623 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 14.9 mt -51.54 -63.95 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.609 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 5.1 pt -51.61 -35.39 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.558 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -70.22 -23.52 62.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.445 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.477 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 10.6 ttpp . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.88 0.371 . . . . 1.0 110.577 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 448' ' ' ASP . 21.8 p-10 -82.0 -12.29 58.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.551 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -89.91 -14.56 33.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.505 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.58 -27.09 20.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.512 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . 0.425 ' C ' ' N ' ' A' ' 453' ' ' ALA . 22.1 mt -71.44 -59.61 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.557 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 5.9 pt -51.97 -12.97 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.554 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . 0.425 ' N ' ' C ' ' A' ' 451' ' ' ILE . . . -89.58 -27.99 19.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.589 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.553 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.885 0.374 . . . . 1.0 110.6 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -75.43 -12.43 60.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.639 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -86.89 -13.38 45.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.573 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.495 ' O ' ' CD1' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -90.0 -21.1 22.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.586 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . 0.445 ' C ' ' N ' ' A' ' 453' ' ' ALA . 32.2 mt -76.58 -59.42 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.605 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 1.1 pt -48.75 -15.34 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.608 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . 0.445 ' N ' ' C ' ' A' ' 451' ' ' ILE . . . -81.7 -35.12 30.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.518 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.548 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.745 0.307 . . . . 1.0 110.536 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -60.61 -25.38 66.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.594 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -90.25 -14.88 32.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.567 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.496 ' O ' ' CD1' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -90.03 -13.53 35.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.599 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 9.2 mt -88.69 -56.21 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.616 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 16.6 pt -53.67 -17.01 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.442 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -73.43 -41.94 62.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.53 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.611 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.526 0.037 0 CA-C-O 120.871 0.367 . . . . 1.0 110.601 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -67.6 -9.97 47.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.56 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -90.01 -17.23 28.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.56 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.42 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 0.0 OUTLIER -90.13 -36.84 14.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.54 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 454' ' ' TYR . 21.5 mt -63.78 -60.66 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.582 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 17.8 tt -46.02 -22.69 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.497 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 450' ' ' PHE . . . -78.57 -38.07 41.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.481 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . 0.414 ' N ' ' O ' ' A' ' 451' ' ' ILE . 37.5 m-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.665 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.827 0.346 . . . . 1.0 110.612 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -58.43 -30.45 66.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.625 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -85.46 -14.52 45.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.579 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.719 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 71.7 m-85 -90.39 -47.52 7.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.593 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 12.1 mt -54.45 -62.74 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.601 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 10.2 pt -51.75 -19.86 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.308 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 450' ' ' PHE . . . -72.26 -49.71 32.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.433 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.396 179.918 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.742 0.306 . . . . 1.0 110.579 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.89 -52.21 65.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.638 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -62.43 -15.85 51.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.699 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -89.64 -44.34 10.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.45 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . 0.409 ' C ' ' N ' ' A' ' 453' ' ' ALA . 14.5 mt -74.27 -53.36 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.481 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . 0.501 ' O ' HG22 ' A' ' 452' ' ' ILE . 28.3 mt -55.15 -9.49 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.543 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . 0.409 ' N ' ' C ' ' A' ' 451' ' ' ILE . . . -89.7 -48.64 7.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.588 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 454' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.654 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 20.2 ttpt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.77 0.319 . . . . 1.0 110.545 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -58.29 -7.3 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.574 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -89.11 -14.83 35.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.594 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -90.01 -25.31 20.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.623 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 11.6 mt -85.34 -53.38 10.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.544 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 1.3 tt -57.38 -8.5 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.483 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -89.99 -34.44 15.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.594 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.608 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.82 0.343 . . . . 1.0 110.593 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . 0.509 ' O ' HG22 ' A' ' 452' ' ' ILE . 0.6 OUTLIER -50.68 -23.4 2.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.702 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -69.09 -26.67 65.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.606 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -91.25 -35.01 14.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.059 -0.518 . . . . 1.0 110.543 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 15.8 mt -76.78 -54.1 13.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.721 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . 0.509 HG22 ' O ' ' A' ' 448' ' ' ASP . 2.5 tt -57.46 -14.92 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.595 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . 0.471 ' O ' ' CD1' ' A' ' 454' ' ' TYR . . . -85.75 -23.73 27.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.438 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . 0.471 ' CD1' ' O ' ' A' ' 453' ' ' ALA . 47.9 m-85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.439 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.77 0.319 . . . . 1.0 110.593 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -60.16 -41.18 92.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.67 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -71.08 -14.28 62.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.675 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.63 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 86.9 m-85 -91.35 -51.59 5.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.434 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 12.0 mt -50.2 -63.51 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.584 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 7.8 pt -48.69 -38.54 9.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.932 -0.396 . . . . 1.0 109.932 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 450' ' ' PHE . . . -53.44 -30.29 39.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 1.0 109.796 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 115.761 -0.654 . . . . 1.0 110.196 179.749 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.734 0.302 . . . . 1.0 110.538 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.96 -9.74 59.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.593 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 449' ' ' GLN . . . . . 0.469 ' CD ' ' N ' ' A' ' 449' ' ' GLN . 18.4 mp0 -89.85 -13.98 35.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.572 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.515 ' O ' ' CD1' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -90.18 -23.36 21.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.517 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 6.1 mt -78.06 -51.92 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.503 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . 0.41 HD13 HG21 ' A' ' 452' ' ' ILE . 7.6 tt -50.16 -29.93 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.567 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -64.65 -46.74 81.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.566 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.66 -179.952 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.73 0.3 . . . . 1.0 110.512 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -67.6 -31.48 71.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.594 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -71.01 -15.05 62.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.624 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' ' 450' ' ' PHE . 35.8 m-85 -90.08 -42.33 11.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.561 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 16.4 mt -67.41 -56.86 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.631 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 2.9 tt -55.58 -15.5 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.569 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -85.55 -30.46 23.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.658 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.478 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 447' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 450' ' ' PHE . 6.1 mtmt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.735 0.302 . . . . 1.0 110.476 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.51 -21.5 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.52 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -90.29 -21.8 21.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.55 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 447' ' ' LYS . 0.0 OUTLIER -90.91 -23.0 20.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.565 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . 0.415 ' C ' ' N ' ' A' ' 453' ' ' ALA . 5.5 mt -81.52 -53.38 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.495 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . 0.403 HG21 HD13 ' A' ' 452' ' ' ILE . 7.9 tt -51.53 -13.49 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.477 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . 0.415 ' N ' ' C ' ' A' ' 451' ' ' ILE . . . -86.73 -35.98 18.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.544 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.569 -179.938 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.762 0.315 . . . . 1.0 110.532 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -55.74 -11.73 1.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.567 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -90.22 -17.73 26.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.597 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.689 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 61.8 m-85 -90.67 -47.06 7.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.536 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 11.6 mt -53.36 -63.02 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.637 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 19.5 pt -47.79 -24.37 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.498 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . 0.689 ' HB3' ' O ' ' A' ' 450' ' ' PHE . . . -66.9 -42.87 84.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.457 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 447' ' ' LYS . . . . . 0.435 ' NZ ' HD11 ' A' ' 451' ' ' ILE . 10.5 ttpp . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.861 0.362 . . . . 1.0 110.56 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -75.6 -32.52 60.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.613 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -63.09 -19.35 64.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.555 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -90.8 -29.73 17.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.457 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . 0.435 HD11 ' NZ ' ' A' ' 447' ' ' LYS . 13.0 mt -71.35 -59.22 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.575 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 2.0 pp -57.35 -29.75 33.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.522 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -75.49 -18.75 59.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.51 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.567 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.761 0.315 . . . . 1.0 110.507 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.46 -19.68 27.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.597 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -91.15 -6.72 53.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.601 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.426 ' CD1' ' C ' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -90.89 -35.74 14.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.432 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 56.2 mt -65.8 -53.76 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.212 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 1.7 mp -52.75 -27.69 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.238 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -70.45 -38.85 74.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.676 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.933 -179.705 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.764 0.316 . . . . 1.0 110.527 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -74.11 -29.08 61.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.55 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -69.21 -4.86 19.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.568 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -91.23 -49.54 6.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.471 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.53 -56.45 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.579 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 2.0 pp -56.69 -10.4 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.498 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . 0.513 ' O ' ' CD1' ' A' ' 454' ' ' TYR . . . -90.47 -33.89 15.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.485 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . 0.513 ' CD1' ' O ' ' A' ' 453' ' ' ALA . 13.3 m-85 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.743 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.751 0.31 . . . . 1.0 110.518 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -72.5 -19.46 61.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.625 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -84.02 -21.34 31.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.512 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.706 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 29.6 m-85 -90.79 -38.81 12.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.567 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 454' ' ' TYR . 9.7 mt -52.17 -66.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.552 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . 0.427 ' N ' HG22 ' A' ' 451' ' ' ILE . 1.8 pp -43.15 -21.06 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.402 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 450' ' ' PHE . . . -78.27 -39.76 39.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.395 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . 0.493 ' N ' ' O ' ' A' ' 451' ' ' ILE . 46.2 m-85 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.763 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.828 0.347 . . . . 1.0 110.55 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 449' ' ' GLN . 29.9 p-10 -60.79 -23.78 65.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.628 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 449' ' ' GLN . . . . . 0.482 ' N ' ' OD1' ' A' ' 448' ' ' ASP . 23.9 mm-40 -90.04 -17.06 28.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.576 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.514 ' O ' ' CD1' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -90.28 -24.37 20.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.524 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 11.3 mt -79.58 -55.05 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.523 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 15.4 tt -52.3 -31.2 14.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.579 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -65.39 -29.79 70.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.533 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.612 179.98 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.718 0.294 . . . . 1.0 110.566 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -73.82 -15.08 61.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.589 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -90.28 -20.51 22.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.556 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' A' ' 450' ' ' PHE . 27.1 m-85 -90.7 -27.21 19.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.49 -179.902 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 9.5 mt -64.21 -56.57 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.604 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 5.2 pt -51.89 -39.18 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.56 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -61.03 -39.9 91.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.387 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.388 179.957 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt . . . . . 0 C--O 1.23 0.034 0 CA-C-O 120.769 0.318 . . . . 1.0 110.855 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -98.0 -9.07 26.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.106 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.55 -20.26 22.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.862 -0.608 . . . . 1.0 109.937 179.775 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.515 ' O ' ' CD1' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -86.6 -18.29 31.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.256 179.757 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 13.5 mt -80.3 -49.76 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.356 179.762 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 1.8 pp -53.14 -23.77 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.357 179.776 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -83.26 -22.75 32.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.761 -179.843 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.893 -179.766 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.808 0.337 . . . . 1.0 110.499 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.92 -26.74 67.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.584 -179.926 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -69.22 -13.68 62.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.614 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -90.11 -42.84 10.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.494 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 10.6 mt -75.03 -51.47 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.495 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . 0.496 ' O ' HG22 ' A' ' 452' ' ' ILE . 60.1 mt -56.51 -9.81 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.497 179.869 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -90.06 -33.03 16.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.657 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.66 -179.948 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 447' ' ' LYS . . . . . 0.486 ' NZ ' HD11 ' A' ' 451' ' ' ILE . 8.2 ttpp . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.839 0.352 . . . . 1.0 110.567 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 448' ' ' ASP . 26.0 t0 -73.28 -18.34 61.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.625 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -78.66 -19.38 52.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.555 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 450' ' ' PHE . 26.6 m-85 -90.62 -30.54 17.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.534 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . 0.486 HD11 ' NZ ' ' A' ' 447' ' ' LYS . 11.9 mt -66.27 -59.38 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.506 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 6.0 pt -53.3 -13.11 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.596 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . 0.42 ' O ' ' CD1' ' A' ' 454' ' ' TYR . . . -90.73 -24.78 20.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.66 -179.938 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . 0.42 ' CD1' ' O ' ' A' ' 453' ' ' ALA . 46.4 m-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.748 -179.892 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.776 0.322 . . . . 1.0 110.592 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -73.12 -12.36 60.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.627 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -88.94 -21.97 23.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.616 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' A' ' 450' ' ' PHE . 26.0 m-85 -91.09 -34.87 14.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.53 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 11.1 mt -63.96 -50.18 78.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.584 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 12.0 pt -45.53 -32.79 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.228 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . 0.517 ' O ' ' CD1' ' A' ' 454' ' ' TYR . . . -84.81 -37.67 20.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.223 179.72 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . 0.517 ' CD1' ' O ' ' A' ' 453' ' ' ALA . 21.3 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.57 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 447' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 450' ' ' PHE . 0.2 OUTLIER . . . . . 0 CA--C 1.526 0.051 0 CA-C-O 120.762 0.315 . . . . 1.0 110.559 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.54 -25.55 2.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.547 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -90.25 -18.03 26.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.616 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.686 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 0.0 OUTLIER -90.33 -41.19 11.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.632 179.945 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 454' ' ' TYR . 5.4 mt -52.13 -65.86 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.534 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . 0.437 ' N ' HG22 ' A' ' 451' ' ' ILE . 6.8 pt -44.78 -22.02 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.426 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 450' ' ' PHE . . . -77.82 -37.29 48.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.521 179.842 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . 0.476 ' N ' ' O ' ' A' ' 451' ' ' ILE . 63.0 m-85 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.718 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 14.8 mtmt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.793 0.33 . . . . 1.0 110.576 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . 0.5 ' O ' HG22 ' A' ' 452' ' ' ILE . 65.6 m-20 -76.47 -24.31 53.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.695 -179.895 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -79.42 -24.52 42.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.539 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -91.01 -47.06 7.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.43 179.858 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 14.4 mt -60.77 -54.83 29.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.476 179.881 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . 0.5 HG22 ' O ' ' A' ' 448' ' ' ASP . 9.3 tt -55.83 -37.27 46.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.424 179.894 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . 0.422 ' N ' ' CG2' ' A' ' 452' ' ' ILE . . . -66.16 -23.73 66.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.372 179.895 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.551 179.982 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.776 0.322 . . . . 1.0 110.538 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.75 -21.94 34.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.524 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -89.96 -14.25 34.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.593 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.452 ' O ' ' CD1' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -89.97 -24.48 21.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.596 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 43.2 mt -73.41 -59.03 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.569 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 23.0 pt -54.19 -13.77 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.571 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -87.42 -25.81 23.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.514 -179.913 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.545 179.981 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 447' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 449' ' ' GLN . 21.6 ttpt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.784 0.326 . . . . 1.0 110.588 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.55 -13.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.799 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 449' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 447' ' ' LYS . 45.3 mt-30 -88.64 -31.13 18.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.937 -179.667 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.464 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 36.7 m-85 -75.1 -19.16 60.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.34 179.941 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 18.4 mm -67.87 -65.75 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.746 -0.661 . . . . 1.0 110.429 179.819 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 13.7 pt -45.84 -28.06 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.196 179.757 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 450' ' ' PHE . . . -61.12 -39.32 89.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.338 179.716 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.296 179.831 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.834 0.349 . . . . 1.0 110.659 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.13 -44.41 87.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.631 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -72.77 -14.52 61.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.545 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 450' ' ' PHE . 33.9 m-85 -88.08 -34.1 18.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.652 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . 0.413 ' C ' ' N ' ' A' ' 453' ' ' ALA . 15.7 mt -72.81 -56.87 8.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.532 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 4.0 tt -55.24 -9.33 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.582 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . 0.413 ' N ' ' C ' ' A' ' 451' ' ' ILE . . . -90.04 -34.73 15.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.608 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.664 179.948 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 447' ' ' LYS . . . . . 0.441 ' C ' ' H ' ' A' ' 449' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.836 0.351 . . . . 1.0 110.359 . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.69 -8.89 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.627 -179.836 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 449' ' ' GLN . . . . . 0.441 ' H ' ' C ' ' A' ' 447' ' ' LYS . 7.5 mt-30 -90.36 -21.05 22.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.559 -179.948 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.473 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 30.3 m-85 -90.79 -35.0 15.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.6 179.947 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 14.1 mt -58.8 -50.93 77.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.63 -179.954 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 11.4 pt -57.83 -15.8 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.545 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 450' ' ' PHE . . . -84.03 -32.19 25.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.64 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.575 179.937 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.845 0.355 . . . . 1.0 110.585 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.84 -13.2 1.65 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.582 179.95 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -90.03 -16.19 30.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.634 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.26 -26.49 20.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.537 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . 0.435 HG22 ' N ' ' A' ' 452' ' ' ILE . 10.0 mt -64.11 -64.69 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.445 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . 0.435 ' N ' HG22 ' A' ' 451' ' ' ILE . 1.8 pp -49.09 -25.48 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -80.58 -32.61 36.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.482 179.738 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.76 179.931 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 20.4 mtmm . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.777 0.322 . . . . 1.0 110.462 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.71 -27.16 69.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.493 -179.945 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -89.57 -14.01 36.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.566 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -89.96 -39.55 12.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.535 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 12.3 mt -73.35 -54.63 15.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.551 -179.955 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 6.5 tt -55.56 -9.98 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.576 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -90.04 -31.13 17.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.618 179.952 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.621 179.883 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.829 0.347 . . . . 1.0 110.549 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -57.53 -14.04 4.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.599 179.966 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -87.91 -8.87 55.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.477 -179.969 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.67 -47.05 7.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.445 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 454' ' ' TYR . 2.7 mp -64.67 -57.02 13.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.676 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 20.0 tt -47.11 -30.1 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.37 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -72.35 -33.94 67.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.391 179.842 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 451' ' ' ILE . 4.1 m-85 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.456 179.901 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.713 0.292 . . . . 1.0 110.301 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.52 -14.22 62.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.547 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -89.45 -12.27 40.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.552 -179.955 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.506 ' O ' ' CD1' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -86.5 -18.8 30.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.493 -179.938 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 29.9 mt -78.16 -57.42 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.491 -179.962 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 9.8 pt -54.93 -12.25 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.547 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . 0.403 ' O ' ' CD1' ' A' ' 454' ' ' TYR . . . -88.5 -21.87 23.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.598 -179.978 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . 0.403 ' CD1' ' O ' ' A' ' 453' ' ' ALA . 64.1 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.621 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.802 0.334 . . . . 1.0 110.5 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.65 -29.51 70.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.629 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -66.53 -18.1 65.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.602 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.695 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 71.4 m-85 -91.29 -49.21 6.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.436 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 12.1 mt -54.47 -62.02 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.553 -179.969 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 2.0 pp -49.82 -22.52 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.419 179.957 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . 0.695 ' HB3' ' O ' ' A' ' 450' ' ' PHE . . . -67.65 -40.48 84.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.503 179.901 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.438 179.903 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.739 0.304 . . . . 1.0 110.372 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.05 -14.02 51.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.566 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -90.04 -14.62 33.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.595 179.962 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.523 ' O ' ' CD1' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -84.94 -16.13 42.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.53 -179.922 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 42.0 mt -83.18 -56.28 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.593 179.981 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 1.7 pp -56.48 -13.12 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.522 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -88.8 -29.62 19.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.584 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.54 -179.962 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.751 0.31 . . . . 1.0 110.484 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.97 -23.27 12.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.658 -179.943 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -90.07 -20.64 22.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.66 179.95 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.589 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 30.9 m-85 -90.77 -41.73 11.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.558 -179.939 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 15.8 mt -53.4 -65.1 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.586 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 6.2 pt -50.68 -26.89 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.469 179.946 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 450' ' ' PHE . . . -68.3 -31.16 70.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.574 179.836 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.59 179.959 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.806 0.336 . . . . 1.0 110.583 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -84.47 -27.91 27.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.548 -179.977 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -90.12 -14.1 34.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.569 -179.946 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -87.23 -29.64 21.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.578 -179.998 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . 0.418 ' C ' ' N ' ' A' ' 453' ' ' ALA . 17.2 mt -69.07 -60.62 2.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.521 -179.997 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 16.6 tt -47.19 -19.79 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.638 179.913 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . 0.432 ' O ' ' CD1' ' A' ' 454' ' ' TYR . . . -76.94 -34.37 57.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.515 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . 0.432 ' CD1' ' O ' ' A' ' 453' ' ' ALA . 34.7 m-85 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.652 -179.957 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.836 0.35 . . . . 1.0 110.658 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -68.13 -60.4 2.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.647 -179.971 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.28 -23.28 0.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.563 179.993 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -91.14 -46.88 7.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.541 179.878 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 11.6 mt -61.92 -58.62 6.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.552 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . 0.47 HG23 ' N ' ' A' ' 453' ' ' ALA . 2.9 tt -51.29 -40.0 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.33 179.949 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 453' ' ' ALA . . . . . 0.47 ' N ' HG23 ' A' ' 452' ' ' ILE . . . -58.15 -28.49 64.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.161 179.608 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 115.87 -0.605 . . . . 1.0 110.167 179.787 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -143.74 -36.88 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.739 0.304 . . . . 1.0 110.546 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . 0.421 ' C ' ' N ' ' A' ' 450' ' ' PHE . 34.6 m-20 -72.89 -46.37 53.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.532 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -49.71 -14.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.661 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.421 ' N ' ' C ' ' A' ' 448' ' ' ASP . 83.0 m-85 -90.12 -37.53 14.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.527 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 16.6 mt -72.24 -55.88 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.549 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 1.8 pp -57.93 -8.59 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.535 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -90.01 -29.5 18.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.605 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -140.84 -69.19 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.587 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -41.11 -30.97 0.46 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . -99.21 -52.91 1.2 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.005 -0.838 . . . . 1.0 111.005 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.405 ' O ' ' CB ' ' A' ' 458' ' ' ARG . 14.8 tp -72.92 -64.85 0.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 1.0 110.469 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . 0.509 ' O ' ' N ' ' A' ' 460' ' ' ALA . 3.4 tpp180 74.51 45.87 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.434 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -41.1 -21.54 0.05 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.934 -0.867 . . . . 1.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 458' ' ' ARG . . . -51.84 -25.81 8.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 1.0 110.576 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.656 HD12 ' N ' ' A' ' 461' ' ' ILE . 1.6 mp -92.37 -44.66 14.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.475 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -57.47 -38.63 74.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.687 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' PHE . . . . . 0.57 ' CD1' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -66.7 -44.45 81.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.486 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . 0.57 ' N ' ' CD1' ' A' ' 463' ' ' PHE . 30.3 m -56.89 -44.98 82.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.502 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.5 mt -72.5 -37.76 68.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.53 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -86.56 1.15 87.17 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 467' ' ' TYR . . . . . 0.491 ' N ' ' O ' ' A' ' 463' ' ' PHE . 0.6 OUTLIER -83.04 -28.94 29.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.801 0.334 . . . . 1.0 110.647 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 470' ' ' ASP . 1.9 mp -74.53 -76.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.716 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 2.0 pp -46.23 -16.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.6 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 468' ' ' LEU . 1.5 t70 -80.74 -47.84 13.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.474 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.21 -45.36 8.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.596 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 35.5 mmtt -83.53 -16.13 46.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.58 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.319 0 O-C-N 119.99 -1.694 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -137.99 -35.68 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 1.0 110.654 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -49.4 75.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.568 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -55.91 -19.3 11.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.546 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -90.71 -47.44 7.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.623 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 14.9 mt -51.54 -63.95 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.609 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 5.1 pt -51.61 -35.39 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.558 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -70.22 -23.52 62.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.445 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -86.33 -31.77 21.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.477 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 106.75 27.6 5.38 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . 44.08 71.95 0.39 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.683 ' N ' ' HE ' ' A' ' 458' ' ' ARG . 0.9 OUTLIER -131.44 -30.19 1.71 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.67 0.271 . . . . 1.0 110.608 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . 0.683 ' HE ' ' N ' ' A' ' 457' ' ' LEU . 0.0 OUTLIER -40.61 -22.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.377 . . . . 1.0 110.809 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . 0.66 ' H ' ' CZ ' ' A' ' 458' ' ' ARG . . . -54.08 -36.51 56.64 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.038 -0.825 . . . . 1.0 111.038 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -80.07 -12.71 59.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.773 0.32 . . . . 1.0 110.639 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.645 HD12 ' N ' ' A' ' 461' ' ' ILE . 1.6 mp -91.62 -47.92 14.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.654 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -59.52 -35.88 75.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.717 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 463' ' ' PHE . . . . . 0.616 ' CD1' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -64.38 -40.93 96.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.471 179.872 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . 0.616 ' N ' ' CD1' ' A' ' 463' ' ' PHE . 2.1 t -69.26 -11.78 61.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.482 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -89.73 -53.03 4.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.511 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -85.31 0.48 88.63 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.034 -0.827 . . . . 1.0 111.034 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -65.59 -35.01 79.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.713 0.292 . . . . 1.0 110.601 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 472' ' ' LYS . 1.9 mp -66.75 -75.59 0.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.791 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 2.1 pp -48.22 -16.94 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.681 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.434 ' N ' ' C ' ' A' ' 468' ' ' LEU . 4.1 t70 -81.09 -44.61 17.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.385 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -96.54 -48.64 5.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.55 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 468' ' ' LEU . 3.4 mptt -64.07 145.41 55.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.612 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 119.968 -1.708 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 10.6 ttpp -139.2 -45.73 0.46 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.88 0.371 . . . . 1.0 110.577 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 448' ' ' ASP . 21.8 p-10 -82.0 -12.29 58.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.551 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -89.91 -14.56 33.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.505 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.58 -27.09 20.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.512 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . 0.425 ' C ' ' N ' ' A' ' 453' ' ' ALA . 22.1 mt -71.44 -59.61 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.557 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 5.9 pt -51.97 -12.97 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.554 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . 0.425 ' N ' ' C ' ' A' ' 451' ' ' ILE . . . -89.58 -27.99 19.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.589 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 0.4 ' O ' ' N ' ' A' ' 456' ' ' GLY . 85.8 m-85 -139.7 -70.44 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.553 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -41.28 -27.72 0.26 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.976 -0.85 . . . . 1.0 110.976 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -98.87 -44.47 2.43 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 14.9 tp -86.94 -68.9 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.683 0.277 . . . . 1.0 110.323 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 460' ' ' ALA . 5.0 tpt85 68.71 49.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.521 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -47.03 -14.18 0.12 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.032 -0.827 . . . . 1.0 111.032 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 458' ' ' ARG . . . -57.67 -16.57 11.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.838 0.352 . . . . 1.0 110.609 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.531 HD12 ' N ' ' A' ' 461' ' ' ILE . 1.4 mp -91.96 -53.87 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.51 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -53.25 -37.86 62.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 463' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' A' ' 463' ' ' PHE . 0.0 OUTLIER -67.36 -40.09 85.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.37 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 82.5 p -68.98 -13.03 62.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.506 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -85.23 -49.44 8.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.423 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -78.01 0.83 71.38 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.998 -0.841 . . . . 1.0 110.998 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -91.65 -42.93 9.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.724 0.297 . . . . 1.0 110.488 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.413 ' C ' ' H ' ' A' ' 470' ' ' ASP . 8.7 mt -60.94 -54.58 43.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.474 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . 0.646 ' C ' HD12 ' A' ' 469' ' ' LEU . 3.1 pp -61.47 -4.33 1.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.392 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.611 ' N ' HD12 ' A' ' 469' ' ' LEU . 0.2 OUTLIER -99.59 -36.38 9.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.256 179.859 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm -111.74 -58.24 2.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.46 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 468' ' ' LEU . 2.2 mmmp? -91.24 86.35 6.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.554 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 120.059 -1.651 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp -100.33 -53.69 3.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.885 0.374 . . . . 1.0 110.6 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -75.43 -12.43 60.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.639 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -86.89 -13.38 45.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.573 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.495 ' O ' ' CD1' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -90.0 -21.1 22.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.586 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . 0.445 ' C ' ' N ' ' A' ' 453' ' ' ALA . 32.2 mt -76.58 -59.42 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.605 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 1.1 pt -48.75 -15.34 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.608 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . 0.445 ' N ' ' C ' ' A' ' 451' ' ' ILE . . . -81.7 -35.12 30.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.518 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 0.517 ' O ' ' N ' ' A' ' 456' ' ' GLY . 38.3 m-85 -140.6 -65.54 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.548 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -41.21 -21.75 0.06 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -102.5 -56.92 0.81 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.849 -0.9 . . . . 1.0 110.849 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.475 ' C ' ' H ' ' A' ' 459' ' ' GLY . 15.0 tp -54.22 -76.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.88 0.371 . . . . 1.0 110.325 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . 0.51 HH12 HG21 ' A' ' 461' ' ' ILE . 2.4 tpt85 73.06 -37.74 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.582 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . 0.475 ' H ' ' C ' ' A' ' 457' ' ' LEU . . . -48.08 -53.3 15.18 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -54.45 -70.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.697 0.284 . . . . 1.0 110.582 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.515 HD12 ' N ' ' A' ' 461' ' ' ILE . 1.7 mp -48.92 -35.3 6.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.459 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -68.01 -27.01 66.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.685 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 463' ' ' PHE . . . . . 0.532 ' CD2' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -89.84 -44.71 9.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.527 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . 0.532 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 0.2 OUTLIER -58.88 -14.41 8.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.58 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.2 mp -90.01 -45.08 9.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.568 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . 0.414 ' O ' ' OD2' ' A' ' 470' ' ' ASP . . . -84.48 1.25 88.99 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -90.87 -35.51 14.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.753 0.311 . . . . 1.0 110.646 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 472' ' ' LYS . 8.6 mt -65.03 -75.13 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.904 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 2.0 pp -44.58 -18.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.683 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.4 OUTLIER -80.17 -41.99 24.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.425 179.878 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 468' ' ' LEU . 10.0 mmtm -104.81 -50.3 3.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.468 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 468' ' ' LEU . 7.9 mmtp -79.59 -68.43 0.67 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.572 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 120.047 -1.658 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.063 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt -144.09 -52.25 0.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.745 0.307 . . . . 1.0 110.536 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -60.61 -25.38 66.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.594 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -90.25 -14.88 32.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.567 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.496 ' O ' ' CD1' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -90.03 -13.53 35.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.599 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 9.2 mt -88.69 -56.21 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.616 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 16.6 pt -53.67 -17.01 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.442 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -73.43 -41.94 62.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.53 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -92.67 17.88 9.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.611 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . 0.518 ' O ' ' NH1' ' A' ' 458' ' ' ARG . . . 48.8 46.59 31.42 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.161 -0.776 . . . . 1.0 111.161 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . 88.29 -16.57 52.15 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.085 -0.806 . . . . 1.0 111.085 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.494 ' C ' ' H ' ' A' ' 459' ' ' GLY . 0.6 OUTLIER 58.19 19.32 6.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.911 0.386 . . . . 1.0 110.388 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . 0.702 ' HE ' ' N ' ' A' ' 459' ' ' GLY . 0.0 OUTLIER -71.05 15.02 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.837 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . 0.702 ' N ' ' HE ' ' A' ' 458' ' ' ARG . . . -102.54 -8.96 42.18 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.879 -0.888 . . . . 1.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -101.84 -5.81 24.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.828 0.347 . . . . 1.0 110.566 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.719 HD12 ' N ' ' A' ' 461' ' ' ILE . 1.7 mp -90.28 -58.95 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.486 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -60.16 -30.45 69.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.594 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 463' ' ' PHE . . . . . 0.612 ' CD2' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -71.96 -48.41 45.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.514 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . 0.612 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 2.5 t -56.76 -47.53 79.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.495 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.4 mt -73.08 -32.69 65.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.581 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -90.05 0.58 79.1 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.969 -0.853 . . . . 1.0 110.969 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 467' ' ' TYR . . . . . 0.522 ' N ' ' O ' ' A' ' 463' ' ' PHE . 2.5 t80 -86.95 -36.15 18.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 1.0 110.717 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 470' ' ' ASP . 8.2 mt -65.62 -77.59 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.607 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -46.08 -17.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.644 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 468' ' ' LEU . 1.7 t0 -80.35 -38.6 30.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.431 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 468' ' ' LEU . 8.0 mmtm -104.2 -47.37 4.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.515 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 468' ' ' LEU . 46.3 mmtt -85.14 40.52 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.665 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 120.061 -1.649 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.49 -38.63 11.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.871 0.367 . . . . 1.0 110.601 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -67.6 -9.97 47.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.56 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -90.01 -17.23 28.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.56 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.42 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 0.0 OUTLIER -90.13 -36.84 14.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.54 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 454' ' ' TYR . 21.5 mt -63.78 -60.66 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.582 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 17.8 tt -46.02 -22.69 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.497 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 450' ' ' PHE . . . -78.57 -38.07 41.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.481 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' ' 456' ' ' GLY . 37.5 m-85 -136.43 -66.5 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.665 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -39.99 -24.67 0.06 OUTLIER Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -109.95 -58.27 0.51 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.818 -0.913 . . . . 1.0 110.818 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 459' ' ' GLY . 57.3 tp -42.36 -87.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.771 0.32 . . . . 1.0 110.282 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . 0.595 ' NH2' HG21 ' A' ' 461' ' ' ILE . 0.0 OUTLIER 41.91 20.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.666 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 457' ' ' LEU . . . -103.79 20.83 40.27 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -136.86 -67.29 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.671 0.272 . . . . 1.0 110.516 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.595 HG21 ' NH2' ' A' ' 458' ' ' ARG . 1.7 mp -53.46 -43.38 52.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.397 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -46.19 -33.68 3.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.595 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.62 -27.04 19.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.454 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 8.0 t -64.59 -34.91 79.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.67 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.0 pp -90.15 -23.52 21.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.583 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . 0.416 ' O ' ' OD1' ' A' ' 470' ' ' ASP . . . -90.16 1.39 79.95 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.014 -0.834 . . . . 1.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 467' ' ' TYR . . . . . 0.43 ' O ' ' N ' ' A' ' 471' ' ' LYS . 7.0 t80 -90.55 -41.56 11.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.789 0.328 . . . . 1.0 110.716 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.481 ' C ' ' N ' ' A' ' 470' ' ' ASP . 8.7 mt -56.99 -75.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.852 -179.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -47.26 -13.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.714 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.481 ' N ' ' C ' ' A' ' 468' ' ' LEU . 1.0 OUTLIER -97.24 -32.52 11.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.629 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.0 OUTLIER -87.51 -25.91 23.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.479 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 6.7 mmtm -68.2 -54.78 15.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.567 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.303 0 O-C-N 120.003 -1.686 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -139.95 -43.05 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.827 0.346 . . . . 1.0 110.612 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -58.43 -30.45 66.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.625 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -85.46 -14.52 45.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.579 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.719 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 71.7 m-85 -90.39 -47.52 7.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.593 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 12.1 mt -54.45 -62.74 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.601 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 10.2 pt -51.75 -19.86 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.308 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 450' ' ' PHE . . . -72.26 -49.71 32.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.433 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -93.81 20.3 7.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.396 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . 0.476 ' C ' ' H ' ' A' ' 457' ' ' LEU . . . 41.38 80.02 0.04 OUTLIER Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.736 -0.946 . . . . 1.0 110.736 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' A' ' 458' ' ' ARG . . . 51.91 7.76 0.34 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 459' ' ' GLY . 1.2 tt 57.33 6.45 0.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.306 0.574 . . . . 1.0 109.728 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . 0.478 ' H ' ' C ' ' A' ' 456' ' ' GLY . 17.0 mmm180 -42.58 -21.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.519 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 457' ' ' LEU . . . -72.16 41.14 0.74 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . 0.455 ' H ' ' C ' ' A' ' 458' ' ' ARG . . . -148.6 -37.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 1.0 110.656 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.525 HD12 ' N ' ' A' ' 461' ' ' ILE . 1.6 mp -65.82 -35.72 75.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.521 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -67.79 -28.01 67.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.617 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.92 -45.72 9.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.536 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.71 -23.21 16.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.579 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.486 ' C ' ' H ' ' A' ' 467' ' ' TYR . 2.3 mp -78.67 -67.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.542 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -62.68 1.83 1.5 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 467' ' ' TYR . . . . . 0.486 ' H ' ' C ' ' A' ' 465' ' ' LEU . 0.2 OUTLIER -83.9 -30.64 26.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.369 . . . . 1.0 110.664 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 472' ' ' LYS . 1.1 mt -76.33 -64.37 1.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.657 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . 0.714 ' H ' HD23 ' A' ' 469' ' ' LEU . 0.1 OUTLIER -56.09 -12.0 1.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.568 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -87.42 -38.4 16.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.391 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -100.28 -48.81 4.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.65 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . 0.527 ' N ' ' CD ' ' A' ' 472' ' ' LYS . 9.0 mptt -68.07 -90.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.569 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.983 -1.698 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -141.84 -36.2 0.43 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.742 0.306 . . . . 1.0 110.579 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.89 -52.21 65.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.638 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -62.43 -15.85 51.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.699 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -89.64 -44.34 10.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.45 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . 0.409 ' C ' ' N ' ' A' ' 453' ' ' ALA . 14.5 mt -74.27 -53.36 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.481 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . 0.501 ' O ' HG22 ' A' ' 452' ' ' ILE . 28.3 mt -55.15 -9.49 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.543 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . 0.409 ' N ' ' C ' ' A' ' 451' ' ' ILE . . . -89.7 -48.64 7.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.588 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 454' ' ' TYR . 0.9 OUTLIER -119.1 -68.55 0.91 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.654 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -42.42 -28.09 0.55 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 458' ' ' ARG . . . -142.83 40.1 1.28 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.665 -0.974 . . . . 1.0 110.665 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 459' ' ' GLY . 5.6 tt -42.25 -20.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.366 . . . . 1.0 110.594 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 456' ' ' GLY . 2.5 mpt_? -41.01 -22.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.615 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 457' ' ' LEU . . . -55.72 -5.82 1.0 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.83 -0.908 . . . . 1.0 110.83 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . 0.487 ' H ' ' C ' ' A' ' 458' ' ' ARG . . . -92.74 -23.41 18.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.812 0.339 . . . . 1.0 110.592 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.549 HD12 ' N ' ' A' ' 461' ' ' ILE . 1.7 mp -90.16 -39.11 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.579 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -64.24 -30.57 71.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.522 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -84.87 -44.71 12.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.59 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 23.0 m -57.25 -20.76 29.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.577 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.492 ' C ' ' H ' ' A' ' 467' ' ' TYR . 2.1 mp -79.42 -68.47 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.551 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . 0.5 ' HA2' HD11 ' A' ' 469' ' ' LEU . . . -62.51 1.94 1.39 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.081 -0.808 . . . . 1.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 467' ' ' TYR . . . . . 0.523 ' OH ' ' NZ ' ' A' ' 471' ' ' LYS . 9.9 t80 -77.64 -41.86 36.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.95 0.405 . . . . 1.0 110.657 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . . . . . . . . . 8.6 mt -56.77 -51.96 66.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.688 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . 0.716 ' H ' HD23 ' A' ' 469' ' ' LEU . 0.1 OUTLIER -59.54 -8.65 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 1.0 110.254 179.836 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.53 -36.72 8.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.415 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . 0.523 ' NZ ' ' OH ' ' A' ' 467' ' ' TYR . 0.0 OUTLIER -81.36 -23.97 37.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.547 179.854 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -74.6 52.65 0.52 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.542 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 120.03 -1.669 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 20.2 ttpt -140.58 -60.9 0.51 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.77 0.319 . . . . 1.0 110.545 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -58.29 -7.3 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.574 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -89.11 -14.83 35.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.594 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -90.01 -25.31 20.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.623 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 11.6 mt -85.34 -53.38 10.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.544 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 1.3 tt -57.38 -8.5 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.483 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -89.99 -34.44 15.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.594 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 0.413 ' O ' ' N ' ' A' ' 456' ' ' GLY . 14.9 m-85 -138.83 -68.34 0.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.608 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -41.26 -27.27 0.23 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.876 -0.89 . . . . 1.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -102.72 -47.59 1.36 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.879 -0.889 . . . . 1.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 14.9 tp -74.19 -66.11 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 1.0 110.335 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . 0.432 ' C ' ' N ' ' A' ' 460' ' ' ALA . 0.9 OUTLIER 69.52 50.04 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.499 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -46.46 -18.59 0.35 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.076 -0.809 . . . . 1.0 111.076 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . 0.432 ' N ' ' C ' ' A' ' 458' ' ' ARG . . . -54.77 -16.61 2.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.791 0.329 . . . . 1.0 110.59 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.52 HD12 ' N ' ' A' ' 461' ' ' ILE . 1.5 mp -92.32 -53.55 8.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.541 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -54.85 -40.44 69.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.837 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -38.32 90.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.4 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -14.3 62.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.467 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -87.03 -53.34 4.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.485 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -77.16 0.88 66.0 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.065 -0.814 . . . . 1.0 111.065 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 467' ' ' TYR . . . . . 0.411 ' O ' ' N ' ' A' ' 471' ' ' LYS . 6.8 t80 -89.75 -41.44 11.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.705 0.288 . . . . 1.0 110.718 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.474 ' C ' ' N ' ' A' ' 470' ' ' ASP . 9.1 mt -57.3 -74.91 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.811 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -47.3 -13.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.725 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.474 ' N ' ' C ' ' A' ' 468' ' ' LEU . 12.0 t70 -96.81 -29.7 13.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.653 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.0 OUTLIER -91.87 -25.93 18.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.627 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -62.03 -62.62 1.65 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.552 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.39 0 O-C-N 120.096 -1.627 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.23 -69.93 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.82 0.343 . . . . 1.0 110.593 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . 0.509 ' O ' HG22 ' A' ' 452' ' ' ILE . 0.6 OUTLIER -50.68 -23.4 2.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.702 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -69.09 -26.67 65.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.606 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -91.25 -35.01 14.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.059 -0.518 . . . . 1.0 110.543 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 456' ' ' GLY . 15.8 mt -76.78 -54.1 13.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.721 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . 0.509 HG22 ' O ' ' A' ' 448' ' ' ASP . 2.5 tt -57.46 -14.92 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.595 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . 0.471 ' O ' ' CD1' ' A' ' 454' ' ' TYR . . . -85.75 -23.73 27.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.438 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 0.524 ' O ' ' NE ' ' A' ' 458' ' ' ARG . 47.9 m-85 -148.93 -69.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.439 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -49.59 -8.15 0.11 Allowed Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.314 -0.714 . . . . 1.0 111.314 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . 0.518 ' H ' ' C ' ' A' ' 454' ' ' TYR . . . -143.86 37.58 1.42 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.873 -0.891 . . . . 1.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.566 ' C ' ' H ' ' A' ' 459' ' ' GLY . 18.3 tp -144.7 -57.36 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.882 0.372 . . . . 1.0 110.292 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . 0.691 ' HE ' ' N ' ' A' ' 458' ' ' ARG . 0.0 OUTLIER -69.12 25.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.963 -179.724 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . 0.566 ' H ' ' C ' ' A' ' 457' ' ' LEU . . . -83.43 -26.57 42.72 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . 0.4 ' C ' HD12 ' A' ' 461' ' ' ILE . . . -100.55 -8.51 22.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.38 . . . . 1.0 110.564 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.698 HD12 ' N ' ' A' ' 461' ' ' ILE . 1.7 mp -91.56 -57.26 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.604 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -51.7 -38.31 54.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.685 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -38.44 81.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.473 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 12.3 p -68.95 -12.41 61.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.581 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -86.93 -49.77 7.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.554 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -83.39 0.88 89.46 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.992 -0.843 . . . . 1.0 110.992 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -70.69 -35.14 72.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.794 0.331 . . . . 1.0 110.729 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 472' ' ' LYS . 2.0 mp -66.4 -76.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.768 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 2.0 pp -46.1 -16.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.622 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.471 ' N ' ' C ' ' A' ' 468' ' ' LEU . 3.5 t70 -83.0 -42.66 17.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.574 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -101.53 -47.19 4.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.498 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 468' ' ' LEU . 11.1 mmtp -83.92 -118.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.589 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 120.074 -1.641 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.075 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -145.44 -46.2 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.77 0.319 . . . . 1.0 110.593 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -60.16 -41.18 92.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.67 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -71.08 -14.28 62.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.675 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.63 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 86.9 m-85 -91.35 -51.59 5.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.434 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 12.0 mt -50.2 -63.51 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.584 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 7.8 pt -48.69 -38.54 9.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.932 -0.396 . . . . 1.0 109.932 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 450' ' ' PHE . . . -53.44 -30.29 39.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 1.0 109.796 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -110.98 19.76 18.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.761 -0.654 . . . . 1.0 110.196 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 39.96 38.74 1.27 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.846 -0.901 . . . . 1.0 110.846 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . 58.38 58.59 13.77 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.824 -0.911 . . . . 1.0 110.824 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.577 HD12 ' H ' ' A' ' 459' ' ' GLY . 2.5 pp -41.84 -38.09 1.43 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.903 -0.406 . . . . 1.0 109.903 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 457' ' ' LEU . 1.2 mpt_? 29.39 68.58 0.09 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.647 -0.706 . . . . 1.0 111.234 179.31 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . 0.577 ' H ' HD12 ' A' ' 457' ' ' LEU . . . -133.2 15.21 4.79 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.771 -0.932 . . . . 1.0 110.771 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -134.14 -66.56 0.61 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.728 0.299 . . . . 1.0 110.495 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.513 HD12 ' N ' ' A' ' 461' ' ' ILE . 1.7 mp -52.96 -43.85 48.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.448 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -46.4 -33.54 3.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.638 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.62 -26.99 19.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.61 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 30.6 p -65.07 -34.87 79.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.637 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.0 pp -89.91 -23.46 21.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.673 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -89.51 0.33 80.38 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -90.98 -38.35 12.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.878 0.37 . . . . 1.0 110.659 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 470' ' ' ASP . 8.3 mt -64.95 -77.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.746 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -46.45 -16.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.697 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.5 OUTLIER -80.58 -37.17 31.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.492 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -102.94 -52.76 2.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.489 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 9.5 mmtm -85.02 -80.32 0.21 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.541 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 120.023 -1.673 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 446' ' ' ACE . . . . . 0.656 ' H1 ' ' OE1' ' A' ' 449' ' ' GLN . . . . . . . . 0 C--O 1.23 0.05 . . . . . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -92.35 -35.96 13.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.734 0.302 . . . . 1.0 110.538 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.96 -9.74 59.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.593 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . 0.656 ' OE1' ' H1 ' ' A' ' 446' ' ' ACE . 18.4 mp0 -89.85 -13.98 35.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.572 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.515 ' O ' ' CD1' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -90.18 -23.36 21.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.517 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 6.1 mt -78.06 -51.92 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.503 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . 0.41 HD13 HG21 ' A' ' 452' ' ' ILE . 7.6 tt -50.16 -29.93 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.567 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -64.65 -46.74 81.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.566 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 0.475 ' O ' ' N ' ' A' ' 457' ' ' LEU . 41.9 m-85 -83.75 13.18 4.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.66 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 42.2 66.91 0.95 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.786 -0.926 . . . . 1.0 110.786 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . 54.12 11.59 2.42 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.816 -0.914 . . . . 1.0 110.816 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 454' ' ' TYR . 0.6 OUTLIER 61.94 16.22 7.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.942 0.401 . . . . 1.0 110.362 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -88.09 13.81 10.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.423 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -95.65 29.29 9.97 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -140.55 -54.57 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 1.0 110.606 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.509 HD12 ' N ' ' A' ' 461' ' ' ILE . 1.7 mp -51.3 -40.58 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.389 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -59.9 -28.48 67.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.544 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 463' ' ' PHE . . . . . 0.581 ' CD1' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -90.78 -46.57 8.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.57 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . 0.581 ' N ' ' CD1' ' A' ' 463' ' ' PHE . 11.6 p -57.84 -13.7 4.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.634 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.9 mp -89.74 -47.28 8.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.627 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -82.01 0.78 88.17 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.029 -0.828 . . . . 1.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -90.73 -38.45 13.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 1.0 110.728 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 470' ' ' ASP . 8.5 mt -62.66 -77.63 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.8 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -43.9 -19.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.524 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 468' ' ' LEU . 1.3 m-20 -78.08 -39.46 41.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.445 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 468' ' ' LEU . 7.9 mttt -106.84 -55.97 2.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.615 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 468' ' ' LEU . 26.4 mmtt -78.21 -24.52 47.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.536 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.383 0 O-C-N 119.975 -1.703 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -144.74 -36.93 0.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.73 0.3 . . . . 1.0 110.512 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -67.6 -31.48 71.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.594 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -71.01 -15.05 62.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.624 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' ' 450' ' ' PHE . 35.8 m-85 -90.08 -42.33 11.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.561 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 456' ' ' GLY . 16.4 mt -67.41 -56.86 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.631 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 2.9 tt -55.58 -15.5 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.569 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -85.55 -30.46 23.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.658 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 456' ' ' GLY . 70.3 m-85 -140.98 -70.34 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.478 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -41.6 -21.6 0.07 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -102.36 -48.66 1.29 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.508 ' O ' ' N ' ' A' ' 459' ' ' GLY . 15.2 tp -61.71 -64.24 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.35 . . . . 1.0 110.441 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . 0.412 ' C ' ' H ' ' A' ' 460' ' ' ALA . 0.0 OUTLIER -40.69 -22.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.529 -179.875 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 457' ' ' LEU . . . -76.56 38.01 1.43 Allowed Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.048 -0.821 . . . . 1.0 111.048 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . 0.412 ' H ' ' C ' ' A' ' 458' ' ' ARG . . . -139.38 -55.14 0.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.894 0.378 . . . . 1.0 110.594 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.537 HD12 ' N ' ' A' ' 461' ' ' ILE . 1.7 mp -54.9 -45.49 75.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.531 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -47.69 -36.7 11.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.601 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.74 -39.32 12.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.61 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 1.1 p -57.33 -35.45 69.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.708 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.793 HD23 ' N ' ' A' ' 466' ' ' GLY . 0.0 OUTLIER -90.74 -24.96 20.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 1.0 109.995 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . 0.793 ' N ' HD23 ' A' ' 465' ' ' LEU . . . -90.58 2.33 80.26 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -91.25 -39.85 11.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.718 0.294 . . . . 1.0 110.879 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 470' ' ' ASP . 1.5 mt -66.66 -76.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.97 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -45.76 -15.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.635 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 468' ' ' LEU . 26.0 t70 -94.18 -32.03 13.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.511 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 468' ' ' LEU . 11.5 mmmt -123.23 -60.08 1.52 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.535 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . 0.462 ' CG ' ' N ' ' A' ' 473' ' ' NH2 . 0.5 OUTLIER 42.9 -131.39 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.585 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 473' ' ' NH2 . . . . . 0.462 ' N ' ' CG ' ' A' ' 472' ' ' LYS . . . . . . . . 0 C--N 1.304 -1.399 0 O-C-N 120.109 -1.62 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 450' ' ' PHE . 6.1 mtmt -92.74 -34.14 14.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.735 0.302 . . . . 1.0 110.476 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.51 -21.5 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.52 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -90.29 -21.8 21.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.55 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 447' ' ' LYS . 0.0 OUTLIER -90.91 -23.0 20.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.565 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . 0.415 ' C ' ' N ' ' A' ' 453' ' ' ALA . 5.5 mt -81.52 -53.38 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.495 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . 0.403 HG21 HD13 ' A' ' 452' ' ' ILE . 7.9 tt -51.53 -13.49 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.477 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . 0.415 ' N ' ' C ' ' A' ' 451' ' ' ILE . . . -86.73 -35.98 18.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.544 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 0.408 ' O ' ' N ' ' A' ' 456' ' ' GLY . 26.8 m-85 -138.09 -67.87 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.569 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -41.1 -27.6 0.22 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.029 -0.828 . . . . 1.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -102.16 -57.55 0.81 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 14.9 tp -60.68 -67.92 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.769 0.319 . . . . 1.0 110.372 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . 0.434 ' C ' ' N ' ' A' ' 460' ' ' ALA . 4.2 tpt85 68.47 50.99 0.67 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.521 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -46.67 -17.75 0.3 Allowed Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . 0.434 ' N ' ' C ' ' A' ' 458' ' ' ARG . . . -54.61 -17.58 3.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.679 0.276 . . . . 1.0 110.52 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.516 HD12 ' N ' ' A' ' 461' ' ' ILE . 1.5 mp -90.13 -40.49 12.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.477 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -64.01 -31.94 73.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.557 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 463' ' ' PHE . . . . . 0.475 ' CD2' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -80.7 -48.93 11.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.551 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . 0.475 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 4.3 t -49.6 -38.23 30.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.485 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.479 ' C ' ' H ' ' A' ' 467' ' ' TYR . 3.8 mp -70.06 -65.46 0.72 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.543 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -58.42 -2.5 1.07 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 467' ' ' TYR . . . . . 0.479 ' H ' ' C ' ' A' ' 465' ' ' LEU . 3.4 t80 -91.31 -57.99 2.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.705 0.288 . . . . 1.0 110.739 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 470' ' ' ASP . 2.0 mt -59.58 -71.96 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.073 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -45.61 -13.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.739 0.305 . . . . 1.0 110.921 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 468' ' ' LEU . 24.4 t0 -99.08 -29.36 12.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.756 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . 0.67 ' HB2' ' HZ2' ' A' ' 471' ' ' LYS . 0.0 OUTLIER -96.04 -24.97 16.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 1.0 111.109 -179.558 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -77.06 153.19 34.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.51 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.31 0 O-C-N 120.005 -1.685 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . 0.531 ' HZ1' HH12 ' A' ' 458' ' ' ARG . 0.0 OUTLIER -155.06 -70.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.762 0.315 . . . . 1.0 110.532 . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -55.74 -11.73 1.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.567 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -90.22 -17.73 26.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.597 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.689 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 61.8 m-85 -90.67 -47.06 7.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.536 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 11.6 mt -53.36 -63.02 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.637 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 19.5 pt -47.79 -24.37 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.498 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . 0.689 ' HB3' ' O ' ' A' ' 450' ' ' PHE . . . -66.9 -42.87 84.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 0.432 ' HB3' ' H ' ' A' ' 458' ' ' ARG . 80.0 m-85 -91.84 -11.18 37.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.457 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . 0.485 ' C ' ' H ' ' A' ' 457' ' ' LEU . . . 74.46 58.96 4.0 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . 70.9 -39.93 0.53 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.892 -0.883 . . . . 1.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.485 ' H ' ' C ' ' A' ' 455' ' ' GLY . 15.0 tp -41.65 -64.45 0.57 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.812 0.339 . . . . 1.0 110.453 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . 0.531 HH12 ' HZ1' ' A' ' 447' ' ' LYS . 4.6 tpt180 64.78 50.52 2.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.595 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . 0.429 ' C ' ' N ' ' A' ' 461' ' ' ILE . . . -44.51 -26.2 0.98 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -46.16 -19.1 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 1.0 110.582 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.502 HD12 ' N ' ' A' ' 461' ' ' ILE . 1.5 mp -90.48 -49.1 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.408 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -56.15 -30.88 62.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.617 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 463' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 467' ' ' TYR . 0.0 OUTLIER -87.13 -47.42 8.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.58 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . 0.457 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 27.8 t -52.96 -36.61 60.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.566 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.788 HD23 ' N ' ' A' ' 466' ' ' GLY . 0.0 OUTLIER -91.0 -24.64 20.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 1.0 109.97 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . 0.788 ' N ' HD23 ' A' ' 465' ' ' LEU . . . -91.12 0.08 75.02 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 467' ' ' TYR . . . . . 0.479 ' N ' ' O ' ' A' ' 463' ' ' PHE . 2.6 t80 -90.34 -36.47 14.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.771 0.32 . . . . 1.0 110.655 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.457 ' C ' ' N ' ' A' ' 470' ' ' ASP . 8.2 mt -65.54 -78.49 0.05 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.703 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -45.97 -17.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.637 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.457 ' N ' ' C ' ' A' ' 468' ' ' LEU . 0.7 OUTLIER -79.68 -38.52 33.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.446 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 468' ' ' LEU . 4.1 mmtp -103.71 -47.62 4.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.616 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 468' ' ' LEU . 11.1 mmtm -71.17 47.03 0.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.62 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.002 -1.686 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . 0.435 ' NZ ' HD11 ' A' ' 451' ' ' ILE . 10.5 ttpp -150.5 -37.08 0.14 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.861 0.362 . . . . 1.0 110.56 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -75.6 -32.52 60.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.613 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -63.09 -19.35 64.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.555 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -90.8 -29.73 17.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.457 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . 0.435 HD11 ' NZ ' ' A' ' 447' ' ' LYS . 13.0 mt -71.35 -59.22 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.575 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 2.0 pp -57.35 -29.75 33.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.522 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -75.49 -18.75 59.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.51 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 0.441 ' O ' ' CD2' ' A' ' 457' ' ' LEU . 0.7 OUTLIER -89.98 -38.44 13.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.567 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 117.71 26.03 2.94 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.84 -0.904 . . . . 1.0 110.84 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . 40.98 34.18 0.77 Allowed Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.985 -0.846 . . . . 1.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 459' ' ' GLY . 0.5 OUTLIER -81.26 -34.25 32.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.751 0.31 . . . . 1.0 110.6 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 41.69 21.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.682 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 457' ' ' LEU . . . -105.0 17.53 44.63 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -131.46 -29.63 1.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.793 0.33 . . . . 1.0 110.695 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.695 HD12 ' N ' ' A' ' 461' ' ' ILE . 1.7 mp -85.3 -47.93 16.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.41 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -46.76 -29.36 1.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.574 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.48 -36.03 14.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.586 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 33.8 m -57.55 -41.11 80.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.579 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.0 pp -85.95 -23.4 26.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.653 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -90.0 1.06 79.95 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.938 -0.865 . . . . 1.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -91.92 -38.01 12.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.719 0.295 . . . . 1.0 110.648 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 470' ' ' ASP . 8.5 mt -62.82 -79.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.722 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -43.17 -21.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.607 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.2 OUTLIER -73.22 -44.48 59.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.366 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 468' ' ' LEU . 10.5 mmtm -94.8 -48.44 6.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.572 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.54 1.2 3.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.477 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 119.959 -1.713 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -103.15 -43.16 5.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.761 0.315 . . . . 1.0 110.507 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.46 -19.68 27.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.597 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -91.15 -6.72 53.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.601 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.426 ' CD1' ' C ' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -90.89 -35.74 14.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.432 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 456' ' ' GLY . 56.2 mt -65.8 -53.76 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.212 179.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 1.7 mp -52.75 -27.69 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.238 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -70.45 -38.85 74.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.676 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 0.524 ' O ' ' N ' ' A' ' 456' ' ' GLY . 33.3 m-85 -136.98 -67.09 0.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.933 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -43.61 -16.62 0.04 OUTLIER Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.111 -0.796 . . . . 1.0 111.111 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -108.71 -69.29 0.65 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.738 -0.945 . . . . 1.0 110.738 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 459' ' ' GLY . 13.9 tp -56.73 -73.66 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.862 0.363 . . . . 1.0 110.032 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . 1.025 HH21 ' HB3' ' A' ' 462' ' ' ALA . 0.3 OUTLIER -41.58 -22.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.2 -179.924 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 457' ' ' LEU . . . -70.64 44.16 0.62 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.107 -0.797 . . . . 1.0 111.107 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . 0.404 ' H ' ' C ' ' A' ' 458' ' ' ARG . . . -161.25 -30.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.767 0.318 . . . . 1.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.639 HD12 ' N ' ' A' ' 461' ' ' ILE . 1.7 mp -69.1 -45.8 79.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.758 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . 1.025 ' HB3' HH21 ' A' ' 458' ' ' ARG . . . -68.64 -31.81 71.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.794 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 463' ' ' PHE . . . . . 0.562 ' CD1' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -83.64 -41.39 17.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.608 -179.859 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . 0.562 ' N ' ' CD1' ' A' ' 463' ' ' PHE . 28.0 t -60.0 -24.55 64.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.583 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 1.9 mp -78.01 -63.55 1.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.605 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -62.82 -21.34 63.11 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.01 -0.836 . . . . 1.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -56.82 -31.42 64.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.781 0.324 . . . . 1.0 110.644 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.401 ' C ' ' H ' ' A' ' 470' ' ' ASP . 7.0 mt -71.21 -71.17 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.746 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . 0.595 ' H ' HD23 ' A' ' 469' ' ' LEU . 0.1 OUTLIER -56.68 -8.78 0.62 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.654 -179.76 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.401 ' H ' ' C ' ' A' ' 468' ' ' LEU . 13.9 t0 -90.86 -37.42 13.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.259 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 17.7 mmtt -102.22 -54.21 2.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.58 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -94.74 -79.39 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.669 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 120.119 -1.613 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -101.4 -36.42 8.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.764 0.316 . . . . 1.0 110.527 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -74.11 -29.08 61.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.55 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -69.21 -4.86 19.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.568 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -91.23 -49.54 6.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.471 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.53 -56.45 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.579 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 2.0 pp -56.69 -10.4 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.498 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . 0.513 ' O ' ' CD1' ' A' ' 454' ' ' TYR . . . -90.47 -33.89 15.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.485 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 0.513 ' CD1' ' O ' ' A' ' 453' ' ' ALA . 13.3 m-85 -138.77 -67.45 0.46 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.743 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -40.62 -27.54 0.17 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.985 -0.846 . . . . 1.0 110.985 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -76.23 -60.15 3.15 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.083 -0.807 . . . . 1.0 111.083 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.532 ' C ' HD12 ' A' ' 457' ' ' LEU . 1.2 pp -64.69 -25.44 67.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.673 0.273 . . . . 1.0 110.582 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.3 -9.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.409 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . 0.485 ' H ' ' C ' ' A' ' 457' ' ' LEU . . . -54.07 -21.72 18.57 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.033 -0.827 . . . . 1.0 111.033 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -78.86 -16.84 56.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.847 0.356 . . . . 1.0 110.566 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.643 HD12 ' N ' ' A' ' 461' ' ' ILE . 1.6 mp -91.28 -54.25 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.434 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -50.68 -38.4 46.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.618 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 463' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 463' ' ' PHE . 0.0 OUTLIER -69.32 -38.6 78.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.337 -179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.35 -16.69 64.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.496 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.464 ' C ' ' H ' ' A' ' 467' ' ' TYR . 2.3 mm? -81.26 -69.14 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.525 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -61.85 0.82 1.48 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 467' ' ' TYR . . . . . 0.464 ' H ' ' C ' ' A' ' 465' ' ' LEU . 2.9 t80 -87.98 -36.28 17.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.818 0.342 . . . . 1.0 110.771 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 470' ' ' ASP . 8.7 mt -62.35 -72.12 0.14 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.972 -179.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 2.0 pp -46.08 -15.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.465 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 468' ' ' LEU . 1.4 m-20 -94.26 -33.81 13.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.631 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.0 OUTLIER -87.29 -21.58 25.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.651 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -70.8 -28.57 64.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.548 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 120.029 -1.669 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.069 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt -148.94 -36.94 0.17 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.751 0.31 . . . . 1.0 110.518 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -72.5 -19.46 61.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.625 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -84.02 -21.34 31.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.512 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.706 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 29.6 m-85 -90.79 -38.81 12.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.567 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 454' ' ' TYR . 9.7 mt -52.17 -66.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.552 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . 0.427 ' N ' HG22 ' A' ' 451' ' ' ILE . 1.8 pp -43.15 -21.06 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.402 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 450' ' ' PHE . . . -78.27 -39.76 39.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.395 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 0.52 ' O ' ' N ' ' A' ' 456' ' ' GLY . 46.2 m-85 -135.37 -63.54 0.67 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.763 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -40.87 -22.15 0.05 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -88.55 -75.27 1.29 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.638 -0.985 . . . . 1.0 110.638 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.889 ' O ' HD12 ' A' ' 457' ' ' LEU . 0.3 OUTLIER -52.92 -17.59 1.5 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.083 0.468 . . . . 1.0 109.966 179.779 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.14 38.95 0.52 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.686 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -68.94 -14.23 67.69 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -51.83 -19.77 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 1.0 110.445 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.688 HD12 ' N ' ' A' ' 461' ' ' ILE . 1.7 mp -91.45 -53.16 9.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.365 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -50.54 -37.4 39.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.703 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 463' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 463' ' ' PHE . 0.0 OUTLIER -70.72 -37.73 73.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.375 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 44.8 t -68.47 -11.65 60.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.474 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -86.52 -59.29 2.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.578 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -71.68 1.38 30.01 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 111.049 -0.82 . . . . 1.0 111.049 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -90.14 -34.87 15.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.717 0.294 . . . . 1.0 110.675 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 472' ' ' LYS . 8.3 mt -66.51 -76.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.79 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -45.46 -16.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.735 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.469 ' N ' ' C ' ' A' ' 468' ' ' LEU . 5.2 t70 -87.68 -42.99 12.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.54 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 5.9 mmtm -105.21 -52.57 2.81 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.595 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 468' ' ' LEU . 4.3 tptm -54.53 139.33 38.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.578 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.976 -1.702 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -101.25 -41.61 6.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 1.0 110.55 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 449' ' ' GLN . 29.9 p-10 -60.79 -23.78 65.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.628 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . 0.482 ' N ' ' OD1' ' A' ' 448' ' ' ASP . 23.9 mm-40 -90.04 -17.06 28.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.576 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.514 ' O ' ' CD1' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -90.28 -24.37 20.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.524 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 11.3 mt -79.58 -55.05 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.523 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 15.4 tt -52.3 -31.2 14.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.579 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -65.39 -29.79 70.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.533 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -88.06 -18.06 29.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 93.01 21.44 30.45 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.954 -0.859 . . . . 1.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . 41.75 43.28 4.05 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.479 ' C ' ' H ' ' A' ' 459' ' ' GLY . 1.8 pp -71.14 -23.36 62.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.825 0.345 . . . . 1.0 110.593 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . 0.463 ' C ' ' H ' ' A' ' 460' ' ' ALA . 2.1 mpt_? -50.06 -11.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.423 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . 0.479 ' H ' ' C ' ' A' ' 457' ' ' LEU . . . -50.63 -10.16 0.35 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.872 -0.891 . . . . 1.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . 0.463 ' H ' ' C ' ' A' ' 458' ' ' ARG . . . -94.58 -25.82 16.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.885 0.374 . . . . 1.0 110.587 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.533 HD12 ' N ' ' A' ' 461' ' ' ILE . 1.6 mp -83.54 -54.2 9.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.566 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -48.9 -30.28 5.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.593 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 463' ' ' PHE . . . . . 0.471 ' O ' ' N ' ' A' ' 467' ' ' TYR . 0.0 OUTLIER -87.7 -41.11 13.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.702 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 43.8 t -59.74 -36.99 77.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.644 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.789 HD23 ' N ' ' A' ' 466' ' ' GLY . 0.0 OUTLIER -90.88 -25.31 19.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 1.0 109.87 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . 0.789 ' N ' HD23 ' A' ' 465' ' ' LEU . . . -93.05 1.2 70.1 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.895 -0.882 . . . . 1.0 110.895 179.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 467' ' ' TYR . . . . . 0.471 ' N ' ' O ' ' A' ' 463' ' ' PHE . 9.2 t80 -84.48 -39.83 18.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.69 0.281 . . . . 1.0 110.822 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 472' ' ' LYS . 8.6 mt -62.21 -66.86 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.717 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . 0.704 ' H ' HD23 ' A' ' 469' ' ' LEU . 0.0 OUTLIER -50.98 -23.7 3.11 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.686 -179.834 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -75.57 -38.55 59.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.49 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -105.48 -65.03 1.08 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.546 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 468' ' ' LEU . 33.1 mmtm -93.84 88.42 5.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.638 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 120.053 -1.654 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -153.02 -36.84 0.11 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.718 0.294 . . . . 1.0 110.566 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -73.82 -15.08 61.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.589 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -90.28 -20.51 22.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.556 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' A' ' 450' ' ' PHE . 27.1 m-85 -90.7 -27.21 19.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.49 -179.902 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 9.5 mt -64.21 -56.57 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.604 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 5.2 pt -51.89 -39.18 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.56 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -61.03 -39.9 91.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.387 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -78.22 -12.65 60.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.388 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 457' ' ' LEU . . . 68.45 51.67 30.41 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.817 -0.913 . . . . 1.0 110.817 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . 56.82 4.83 1.07 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.991 -0.843 . . . . 1.0 110.991 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.495 ' C ' ' H ' ' A' ' 459' ' ' GLY . 44.8 tp -67.66 -48.61 66.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.787 0.327 . . . . 1.0 110.408 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.67 -39.05 0.44 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.595 -179.863 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . 0.495 ' H ' ' C ' ' A' ' 457' ' ' LEU . . . 83.34 4.65 89.38 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.719 -0.952 . . . . 1.0 110.719 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -132.36 -33.22 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.742 0.306 . . . . 1.0 110.573 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.422 HD12 ' N ' ' A' ' 461' ' ' ILE . 1.5 mp -75.26 -41.85 43.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -55.7 -32.74 63.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.548 -179.921 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 463' ' ' PHE . . . . . 0.438 ' O ' ' N ' ' A' ' 467' ' ' TYR . 0.0 OUTLIER -89.66 -44.59 9.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.653 -179.899 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . 0.409 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 19.7 t -54.7 -36.43 64.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.635 -179.904 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.795 HD23 ' N ' ' A' ' 466' ' ' GLY . 0.0 OUTLIER -90.83 -25.12 20.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 1.0 109.886 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . 0.795 ' N ' HD23 ' A' ' 465' ' ' LEU . . . -90.93 1.53 78.1 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.883 -0.887 . . . . 1.0 110.883 179.776 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 467' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 463' ' ' PHE . 0.8 OUTLIER -88.66 -38.03 15.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.778 0.323 . . . . 1.0 110.73 -179.854 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 470' ' ' ASP . 1.5 mp -65.1 -77.79 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.764 -179.878 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -45.15 -17.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.683 -179.844 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 468' ' ' LEU . 4.5 t0 -84.8 -43.64 14.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.386 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 10.0 mmtm -103.65 -60.78 1.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.517 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 34.5 tptt -56.2 107.53 0.37 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.39 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.388 0 O-C-N 120.102 -1.624 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -88.11 -27.91 21.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.769 0.318 . . . . 1.0 110.855 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -98.0 -9.07 26.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.106 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.55 -20.26 22.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.862 -0.608 . . . . 1.0 109.937 179.775 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.515 ' O ' ' CD1' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -86.6 -18.29 31.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.256 179.757 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 13.5 mt -80.3 -49.76 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.356 179.762 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 1.8 pp -53.14 -23.77 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.357 179.776 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -83.26 -22.75 32.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.761 -179.843 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 0.521 ' O ' ' N ' ' A' ' 456' ' ' GLY . 76.4 m-85 -136.48 -83.11 0.37 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.893 -179.766 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -39.2 -23.39 0.03 OUTLIER Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.18 -0.768 . . . . 1.0 111.18 -179.747 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -102.41 -33.84 4.38 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.481 ' C ' ' H ' ' A' ' 459' ' ' GLY . 15.0 tp -77.43 -74.8 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 1.0 110.422 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . 0.408 ' CB ' ' O ' ' A' ' 457' ' ' LEU . 0.0 OUTLIER 74.46 -33.45 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.543 179.869 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' A' ' 457' ' ' LEU . . . 83.01 -21.62 7.76 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -103.59 -23.59 13.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 1.0 110.494 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.446 ' N ' HD12 ' A' ' 461' ' ' ILE . 1.5 mp -90.43 -37.1 9.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.346 179.916 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -63.53 -27.82 69.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.648 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 463' ' ' PHE . . . . . 0.591 ' CD2' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -81.13 -51.23 8.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.647 -179.928 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . 0.591 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 4.1 t -60.44 -13.58 14.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.675 -179.756 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.8 mp -89.82 -53.13 4.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.653 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . 0.415 ' O ' ' OD2' ' A' ' 470' ' ' ASP . . . -81.92 -10.41 84.06 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.037 -0.825 . . . . 1.0 111.037 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 467' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 463' ' ' PHE . 0.2 OUTLIER -53.01 -39.7 63.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.647 0.261 . . . . 1.0 110.874 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 472' ' ' LYS . 1.7 mp -64.63 -71.28 0.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.013 -179.605 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . 0.671 ' H ' HD23 ' A' ' 469' ' ' LEU . 0.1 OUTLIER -53.52 -10.78 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.825 -179.652 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.415 ' OD2' ' O ' ' A' ' 466' ' ' GLY . 67.1 m-20 -93.81 -34.57 13.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.436 179.84 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 29.6 mmtm -111.61 -52.92 2.75 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.537 179.898 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' A' ' 468' ' ' LEU . 1.1 tmtt? -42.03 -63.11 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.525 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.313 0 O-C-N 120.106 -1.621 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.42 -68.83 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.808 0.337 . . . . 1.0 110.499 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.92 -26.74 67.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.584 -179.926 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -69.22 -13.68 62.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.614 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -90.11 -42.84 10.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.494 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 10.6 mt -75.03 -51.47 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.495 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . 0.496 ' O ' HG22 ' A' ' 452' ' ' ILE . 60.1 mt -56.51 -9.81 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.497 179.869 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -90.06 -33.03 16.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.657 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 0.449 ' O ' ' N ' ' A' ' 456' ' ' GLY . 32.4 m-85 -135.92 -74.63 0.44 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.66 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -41.01 -25.27 0.11 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.018 -0.833 . . . . 1.0 111.018 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -103.62 -54.11 0.84 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.522 ' O ' ' N ' ' A' ' 459' ' ' GLY . 14.9 tp -45.47 -66.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.73 0.3 . . . . 1.0 110.373 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . 0.493 ' C ' ' H ' ' A' ' 460' ' ' ALA . 2.4 mpt_? -42.02 -20.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.577 -179.822 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 457' ' ' LEU . . . -73.45 33.6 0.82 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.98 -0.848 . . . . 1.0 110.98 179.885 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . 0.493 ' H ' ' C ' ' A' ' 458' ' ' ARG . . . -136.99 -57.76 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.368 . . . . 1.0 110.608 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.52 HD12 ' N ' ' A' ' 461' ' ' ILE . 1.7 mp -51.23 -37.85 18.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.473 179.901 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -62.71 -27.45 69.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.63 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -86.72 -44.11 12.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.568 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 3.2 t -57.59 -24.12 54.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.564 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 4.4 mp -85.12 -44.51 12.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.556 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -78.98 0.61 78.13 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -88.83 -37.68 15.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 1.0 110.55 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.459 ' C ' ' N ' ' A' ' 470' ' ' ASP . 8.3 mt -65.15 -77.1 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.703 -179.778 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 2.0 pp -46.55 -16.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.634 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.459 ' N ' ' C ' ' A' ' 468' ' ' LEU . 0.6 OUTLIER -80.38 -38.17 30.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.535 179.9 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 468' ' ' LEU . 13.6 mmtt -103.46 -59.84 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.58 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm -86.54 71.49 10.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.52 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 120.017 -1.677 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.01 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . 0.486 ' NZ ' HD11 ' A' ' 451' ' ' ILE . 8.2 ttpp -148.12 -36.8 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 1.0 110.567 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 448' ' ' ASP . 26.0 t0 -73.28 -18.34 61.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.625 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -78.66 -19.38 52.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.555 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 450' ' ' PHE . 26.6 m-85 -90.62 -30.54 17.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.534 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . 0.486 HD11 ' NZ ' ' A' ' 447' ' ' LYS . 11.9 mt -66.27 -59.38 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.506 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 6.0 pt -53.3 -13.11 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.596 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . 0.42 ' O ' ' CD1' ' A' ' 454' ' ' TYR . . . -90.73 -24.78 20.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.66 -179.938 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 0.42 ' CD1' ' O ' ' A' ' 453' ' ' ALA . 46.4 m-85 -145.22 -57.66 0.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.748 -179.892 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -60.12 -11.38 18.87 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.088 -0.805 . . . . 1.0 111.088 -179.869 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 451' ' ' ILE . . . -126.92 -10.49 3.86 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.12 -0.792 . . . . 1.0 111.12 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.425 ' CD1' ' C ' ' A' ' 457' ' ' LEU . 0.2 OUTLIER -64.79 -83.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.128 -0.323 . . . . 1.0 110.128 179.733 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . 0.762 ' HE ' ' H ' ' A' ' 458' ' ' ARG . 0.0 OUTLIER 35.1 66.15 0.33 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.364 -0.38 . . . . 1.0 111.156 -179.57 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -102.77 -18.77 14.73 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.747 -0.941 . . . . 1.0 110.747 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -128.02 -7.21 5.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 1.0 110.401 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.52 HD12 ' N ' ' A' ' 461' ' ' ILE . 1.7 mp -90.1 -35.58 7.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.521 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -71.34 -29.02 64.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.517 179.917 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 463' ' ' PHE . . . . . 0.583 ' CG ' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -76.53 -55.83 5.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.595 -180.0 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . 0.583 ' N ' ' CG ' ' A' ' 463' ' ' PHE . 0.5 OUTLIER -54.76 -9.14 0.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.552 179.956 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.44 ' H ' ' C ' ' A' ' 463' ' ' PHE . 1.5 mp -88.86 -63.57 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.556 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -70.35 1.41 19.93 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -90.59 -34.82 15.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.703 0.287 . . . . 1.0 110.687 -179.81 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 470' ' ' ASP . 8.3 mt -66.44 -77.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.915 -179.708 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . 0.421 ' H ' HD23 ' A' ' 469' ' ' LEU . 0.3 OUTLIER -45.5 -16.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.786 -179.844 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 468' ' ' LEU . 3.9 t70 -87.08 -42.59 12.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.511 179.864 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 472' ' ' LYS . 15.7 mmtt -104.64 -59.31 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.524 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 471' ' ' LYS . 0.1 OUTLIER 39.77 94.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.822 179.866 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.378 0 O-C-N 119.97 -1.706 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -144.19 -36.6 0.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.776 0.322 . . . . 1.0 110.592 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -73.12 -12.36 60.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.627 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -88.94 -21.97 23.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.616 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' A' ' 450' ' ' PHE . 26.0 m-85 -91.09 -34.87 14.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.53 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 11.1 mt -63.96 -50.18 78.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.584 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 12.0 pt -45.53 -32.79 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.228 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . 0.517 ' O ' ' CD1' ' A' ' 454' ' ' TYR . . . -84.81 -37.67 20.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.223 179.72 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 0.517 ' CD1' ' O ' ' A' ' 453' ' ' ALA . 21.3 m-85 -140.86 92.32 2.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.57 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 136.14 -18.05 3.78 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . -120.36 11.44 10.54 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.054 -0.819 . . . . 1.0 111.054 179.913 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.691 ' N ' ' HE ' ' A' ' 458' ' ' ARG . 1.1 pp -108.87 -28.85 8.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.628 0.252 . . . . 1.0 110.577 -179.87 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . 0.691 ' HE ' ' N ' ' A' ' 457' ' ' LEU . 0.0 OUTLIER -70.42 -7.2 41.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.437 -179.929 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . 0.465 ' N ' ' CZ ' ' A' ' 458' ' ' ARG . . . -125.26 16.29 7.17 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.837 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -102.99 -28.63 11.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.771 0.32 . . . . 1.0 110.605 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.71 HD12 ' N ' ' A' ' 461' ' ' ILE . 1.7 mp -89.63 -50.27 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.417 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -47.04 -29.29 2.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.397 179.826 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -91.06 -31.59 16.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.606 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 19.2 t -63.01 -38.46 91.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.758 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 1.9 pp -89.12 -23.48 22.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.675 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -90.11 1.03 79.6 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.966 -0.854 . . . . 1.0 110.966 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -92.03 -38.48 12.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.866 0.365 . . . . 1.0 110.743 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 470' ' ' ASP . 8.5 mt -61.92 -79.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.734 -179.674 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -43.64 -20.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.597 -179.871 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.5 OUTLIER -74.17 -44.47 53.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.486 179.941 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 468' ' ' LEU . 18.4 mmtt -94.44 -50.29 5.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.599 179.88 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.18 -74.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.556 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 120.047 -1.658 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 450' ' ' PHE . 0.2 OUTLIER -133.52 -71.83 0.51 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.762 0.315 . . . . 1.0 110.559 . . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.54 -25.55 2.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.547 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -90.25 -18.03 26.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.616 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.686 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 0.0 OUTLIER -90.33 -41.19 11.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.632 179.945 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 454' ' ' TYR . 5.4 mt -52.13 -65.86 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.534 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . 0.437 ' N ' HG22 ' A' ' 451' ' ' ILE . 6.8 pt -44.78 -22.02 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.426 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 450' ' ' PHE . . . -77.82 -37.29 48.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.521 179.842 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 0.476 ' N ' ' O ' ' A' ' 451' ' ' ILE . 63.0 m-85 -135.57 -62.22 0.7 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.718 -179.95 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -47.27 -14.16 0.16 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . 0.472 ' N ' ' C ' ' A' ' 454' ' ' TYR . . . -135.57 33.03 2.47 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.877 -0.889 . . . . 1.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.701 ' N ' ' HE ' ' A' ' 458' ' ' ARG . 51.6 tp -107.83 -35.1 6.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.636 0.255 . . . . 1.0 110.407 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . 0.701 ' HE ' ' N ' ' A' ' 457' ' ' LEU . 0.0 OUTLIER -40.52 -22.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 1.0 111.016 -179.737 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . 0.642 ' H ' ' CZ ' ' A' ' 458' ' ' ARG . . . -69.34 5.92 4.82 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.026 -0.829 . . . . 1.0 111.026 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . 0.425 ' H ' ' C ' ' A' ' 458' ' ' ARG . . . -129.88 -7.58 4.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.728 0.299 . . . . 1.0 110.682 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.517 HD12 ' N ' ' A' ' 461' ' ' ILE . 1.7 mp -90.68 -57.7 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.53 179.881 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -48.64 -28.79 3.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.704 -179.927 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 463' ' ' PHE . . . . . 0.482 ' CD2' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -89.49 -49.88 6.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.615 -179.926 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . 0.482 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 27.9 t -52.77 -33.68 49.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.525 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.792 HD23 ' N ' ' A' ' 466' ' ' GLY . 0.0 OUTLIER -90.87 -25.46 19.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 1.0 109.874 179.954 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . 0.792 ' N ' HD23 ' A' ' 465' ' ' LEU . . . -91.85 0.01 72.56 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 179.813 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 467' ' ' TYR . . . . . 0.471 ' N ' ' O ' ' A' ' 463' ' ' PHE . 1.6 t80 -91.08 -32.29 15.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.677 0.275 . . . . 1.0 110.556 -179.841 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 471' ' ' LYS . 7.1 mt -71.82 -78.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.707 -179.669 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -45.05 -17.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.685 -179.854 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 468' ' ' LEU . 2.0 t70 -81.04 -35.22 32.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.476 179.905 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 468' ' ' LEU . 24.7 mmtp -109.31 -60.43 1.77 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.473 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 13.2 mmtm -79.95 174.98 11.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.599 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 120.039 -1.663 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.175 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 14.8 mtmt -138.1 -35.44 0.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 1.0 110.576 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . 0.5 ' O ' HG22 ' A' ' 452' ' ' ILE . 65.6 m-20 -76.47 -24.31 53.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.695 -179.895 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -79.42 -24.52 42.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.539 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -91.01 -47.06 7.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.43 179.858 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 14.4 mt -60.77 -54.83 29.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.476 179.881 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . 0.5 HG22 ' O ' ' A' ' 448' ' ' ASP . 9.3 tt -55.83 -37.27 46.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.424 179.894 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . 0.422 ' N ' ' CG2' ' A' ' 452' ' ' ILE . . . -66.16 -23.73 66.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.372 179.895 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -83.87 -42.76 16.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.551 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 120.81 23.32 2.8 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.826 -0.91 . . . . 1.0 110.826 179.889 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . 47.19 23.94 2.0 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.046 -0.822 . . . . 1.0 111.046 179.92 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 459' ' ' GLY . 0.5 OUTLIER -71.28 -35.79 71.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.757 0.313 . . . . 1.0 110.479 179.912 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 45.01 16.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.579 179.8 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 457' ' ' LEU . . . -81.7 -27.0 48.52 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -85.59 -19.06 31.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.873 0.368 . . . . 1.0 110.541 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.544 HD12 ' N ' ' A' ' 461' ' ' ILE . 1.7 mp -84.19 -48.38 16.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.596 179.916 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -58.7 -30.23 67.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.572 179.868 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 463' ' ' PHE . . . . . 0.49 ' CD2' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -88.29 -47.77 8.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.601 179.965 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . 0.49 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 13.6 t -51.55 -37.08 47.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.59 -179.914 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.803 HD23 ' N ' ' A' ' 466' ' ' GLY . 0.0 OUTLIER -90.95 -25.29 19.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.289 -0.414 . . . . 1.0 109.986 -179.995 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . 0.803 ' N ' HD23 ' A' ' 465' ' ' LEU . . . -91.11 2.47 79.11 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.869 -0.892 . . . . 1.0 110.869 179.76 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 467' ' ' TYR . . . . . 0.476 ' N ' ' O ' ' A' ' 463' ' ' PHE . 0.3 OUTLIER -88.99 -45.74 9.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.753 0.311 . . . . 1.0 110.953 -179.711 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 470' ' ' ASP . 1.2 mt -58.33 -75.86 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.841 -179.765 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -47.62 -12.64 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.81 -179.739 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 468' ' ' LEU . 14.6 t70 -96.97 -31.47 12.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.583 179.9 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.0 OUTLIER -88.56 -25.98 22.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.567 -179.916 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -67.61 -111.92 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.537 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.307 0 O-C-N 119.917 -1.739 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -141.41 -38.19 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.776 0.322 . . . . 1.0 110.538 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.75 -21.94 34.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.524 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -89.96 -14.25 34.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.593 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.452 ' O ' ' CD1' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -89.97 -24.48 21.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.596 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 43.2 mt -73.41 -59.03 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.569 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 23.0 pt -54.19 -13.77 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.571 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -87.42 -25.81 23.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.514 -179.913 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 456' ' ' GLY . 82.2 m-85 -145.05 -68.3 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.545 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -41.28 -27.34 0.24 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -101.78 -50.61 1.16 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.005 -0.838 . . . . 1.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.486 ' C ' ' H ' ' A' ' 459' ' ' GLY . 14.9 tp -79.19 -75.3 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.822 0.344 . . . . 1.0 110.335 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 5.8 tpt85 73.47 -36.4 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.578 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . 0.486 ' H ' ' C ' ' A' ' 457' ' ' LEU . . . 92.44 -7.98 77.47 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -124.36 -21.61 4.9 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.888 0.375 . . . . 1.0 110.595 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.443 HD12 ' N ' ' A' ' 461' ' ' ILE . 1.5 mp -90.3 -33.64 6.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.332 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -79.5 -27.22 41.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.565 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 463' ' ' PHE . . . . . 0.599 ' CD2' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -79.95 -50.27 10.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.501 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . 0.599 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 4.7 t -58.63 -14.23 7.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.553 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 1.6 mp -89.96 -45.09 9.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.527 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -84.62 1.2 89.03 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -90.81 -35.73 14.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.334 . . . . 1.0 110.756 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 470' ' ' ASP . 8.5 mt -65.03 -77.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.677 -179.726 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -43.95 -19.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.587 -179.819 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.6 OUTLIER -78.07 -40.56 38.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.49 -179.987 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 468' ' ' LEU . 10.3 mmtm -103.89 -47.34 4.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.52 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.2 OUTLIER -72.71 -54.49 8.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.501 -179.944 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.324 0 O-C-N 120.027 -1.67 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 449' ' ' GLN . 21.6 ttpt -137.65 -66.45 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 1.0 110.588 . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.55 -13.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.799 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 447' ' ' LYS . 45.3 mt-30 -88.64 -31.13 18.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.937 -179.667 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.464 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 36.7 m-85 -75.1 -19.16 60.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.34 179.941 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 18.4 mm -67.87 -65.75 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.746 -0.661 . . . . 1.0 110.429 179.819 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 13.7 pt -45.84 -28.06 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.196 179.757 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 450' ' ' PHE . . . -61.12 -39.32 89.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.338 179.716 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -103.21 -15.71 15.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.296 179.831 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 457' ' ' LEU . . . 79.91 67.6 1.56 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.18 -0.768 . . . . 1.0 111.18 179.736 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . 41.51 20.96 0.05 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' A' ' 455' ' ' GLY . 14.6 tp -95.21 -65.09 1.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.911 0.386 . . . . 1.0 110.191 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.32 -38.21 0.41 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.651 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . 0.495 ' H ' ' C ' ' A' ' 457' ' ' LEU . . . 84.76 -13.42 53.18 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.801 -0.92 . . . . 1.0 110.801 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -113.96 -25.28 8.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.762 0.315 . . . . 1.0 110.55 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.488 HD12 ' N ' ' A' ' 461' ' ' ILE . 1.5 mp -90.67 -33.44 5.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.524 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -79.45 -27.28 41.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.592 179.874 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 463' ' ' PHE . . . . . 0.599 ' CD2' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -80.14 -51.48 8.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.578 -179.951 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . 0.599 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 32.5 m -55.42 -19.62 9.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.601 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 1.8 mp -86.96 -51.16 6.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.562 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -77.02 0.58 66.25 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.883 -0.887 . . . . 1.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -89.63 -38.06 14.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 1.0 110.651 -179.937 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.451 ' C ' ' N ' ' A' ' 470' ' ' ASP . 8.3 mt -65.18 -76.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.654 -179.788 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -46.92 -16.66 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.659 -179.913 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.451 ' N ' ' C ' ' A' ' 468' ' ' LEU . 0.8 OUTLIER -80.22 -37.9 32.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.546 179.912 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 468' ' ' LEU . 6.4 mttm -103.01 -48.24 4.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.549 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 7.9 mmtm -84.92 82.27 8.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.54 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 120.02 -1.675 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -143.35 -36.79 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.834 0.349 . . . . 1.0 110.659 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.13 -44.41 87.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.631 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -72.77 -14.52 61.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.545 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 450' ' ' PHE . 33.9 m-85 -88.08 -34.1 18.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.652 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . 0.413 ' C ' ' N ' ' A' ' 453' ' ' ALA . 15.7 mt -72.81 -56.87 8.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.532 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 4.0 tt -55.24 -9.33 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.582 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . 0.413 ' N ' ' C ' ' A' ' 451' ' ' ILE . . . -90.04 -34.73 15.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.608 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 458' ' ' ARG . 57.6 m-85 -136.84 -66.36 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.664 179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -41.25 -27.95 0.27 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . -104.85 -26.48 6.37 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 179.918 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.496 ' C ' ' H ' ' A' ' 459' ' ' GLY . 42.6 tp -96.69 -57.17 2.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.755 0.312 . . . . 1.0 110.405 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 454' ' ' TYR . 0.0 OUTLIER 72.58 -35.94 0.34 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.603 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . 0.496 ' H ' ' C ' ' A' ' 457' ' ' LEU . . . 79.17 -19.66 5.34 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 179.858 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -101.97 -20.96 14.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.927 0.394 . . . . 1.0 110.626 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . . . . . . . . . 1.4 mp -90.86 -42.24 13.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -59.39 -33.16 70.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.528 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 463' ' ' PHE . . . . . 0.58 ' CD2' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -76.54 -48.15 20.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.619 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . 0.58 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 83.5 p -57.25 -14.25 4.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.571 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.9 mp -90.02 -47.31 7.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.552 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -83.25 1.03 89.37 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.008 -0.837 . . . . 1.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -90.65 -35.96 14.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.851 0.358 . . . . 1.0 110.69 -179.836 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 472' ' ' LYS . 8.5 mt -64.69 -76.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.771 -179.676 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 2.0 pp -44.13 -19.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.585 -179.798 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.8 OUTLIER -78.73 -40.64 32.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.528 179.948 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 468' ' ' LEU . 19.8 mttt -104.32 -47.6 4.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.532 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 468' ' ' LEU . 9.4 mmmt -89.64 139.42 30.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.618 179.928 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 120.117 -1.614 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.06 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . 0.441 ' C ' ' H ' ' A' ' 449' ' ' GLN . 0.4 OUTLIER -160.45 -69.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.351 . . . . 1.0 110.359 . . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.69 -8.89 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.627 -179.836 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . 0.441 ' H ' ' C ' ' A' ' 447' ' ' LYS . 7.5 mt-30 -90.36 -21.05 22.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.559 -179.948 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.473 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 30.3 m-85 -90.79 -35.0 15.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.6 179.947 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 456' ' ' GLY . 14.1 mt -58.8 -50.93 77.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.63 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 11.4 pt -57.83 -15.8 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.545 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 450' ' ' PHE . . . -84.03 -32.19 25.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.64 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 0.511 ' O ' ' N ' ' A' ' 456' ' ' GLY . 76.4 m-85 -139.42 -69.63 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.575 179.937 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -41.46 -21.39 0.06 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.966 -0.853 . . . . 1.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -96.63 -36.21 5.15 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.022 -0.831 . . . . 1.0 111.022 179.893 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 459' ' ' GLY . 15.1 tp -77.93 -66.27 0.86 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.797 0.332 . . . . 1.0 110.336 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . 0.469 ' C ' ' H ' ' A' ' 460' ' ' ALA . 2.4 mpt_? -41.33 -21.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.678 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 457' ' ' LEU . . . -48.51 -12.74 0.21 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.896 -0.882 . . . . 1.0 110.896 179.859 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . 0.469 ' H ' ' C ' ' A' ' 458' ' ' ARG . . . -94.93 -65.49 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 1.0 110.562 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.505 HD12 ' N ' ' A' ' 461' ' ' ILE . 1.7 mp -49.93 -37.72 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.369 179.928 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -58.72 -29.24 66.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.613 180.0 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 463' ' ' PHE . . . . . 0.443 ' CG ' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -82.73 -46.68 12.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.443 179.989 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . 0.443 ' N ' ' CG ' ' A' ' 463' ' ' PHE . 46.7 m -51.5 -38.11 52.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.662 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.48 ' C ' ' H ' ' A' ' 467' ' ' TYR . 7.6 mp -72.9 -60.2 2.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.586 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -62.36 0.98 1.68 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 467' ' ' TYR . . . . . 0.48 ' H ' ' C ' ' A' ' 465' ' ' LEU . 1.2 t80 -91.75 -40.2 11.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.712 0.292 . . . . 1.0 110.671 -179.843 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 472' ' ' LYS . 2.2 mt -74.08 -70.83 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.941 -179.799 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.25 -11.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.842 -179.759 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.484 ' H ' ' C ' ' A' ' 468' ' ' LEU . 23.2 t0 -102.47 -45.74 4.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.644 179.875 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 29.7 mmtt -102.41 20.27 17.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.623 -179.876 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 468' ' ' LEU . 13.3 tptt -146.66 58.37 1.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.551 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 120.027 -1.67 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -101.0 -48.08 4.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 1.0 110.585 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.84 -13.2 1.65 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.582 179.95 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -90.03 -16.19 30.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.634 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.26 -26.49 20.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.537 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . 0.435 HG22 ' N ' ' A' ' 452' ' ' ILE . 10.0 mt -64.11 -64.69 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.445 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . 0.435 ' N ' HG22 ' A' ' 451' ' ' ILE . 1.8 pp -49.09 -25.48 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -80.58 -32.61 36.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.482 179.738 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 0.5 ' O ' ' N ' ' A' ' 456' ' ' GLY . 59.1 m-85 -132.37 -65.8 0.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.76 179.931 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 451' ' ' ILE . . . -45.4 -14.7 0.07 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.029 -0.828 . . . . 1.0 111.029 -179.942 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -66.15 -32.64 82.9 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.481 ' C ' ' H ' ' A' ' 459' ' ' GLY . 1.9 pp -78.42 -23.83 46.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.814 0.34 . . . . 1.0 110.651 -179.951 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.27 -0.04 0.5 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.401 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' A' ' 457' ' ' LEU . . . -56.71 -9.51 3.7 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.009 -0.836 . . . . 1.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -102.27 -12.87 17.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.738 0.304 . . . . 1.0 110.582 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.51 HD12 ' N ' ' A' ' 461' ' ' ILE . 1.5 mp -89.39 -33.75 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.498 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -76.01 -27.28 57.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.546 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 463' ' ' PHE . . . . . 0.6 ' CD2' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -80.74 -48.85 11.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.528 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . 0.6 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 23.0 t -54.58 -34.98 62.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.528 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 6.0 mp -77.56 -44.87 27.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.534 179.994 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -79.79 0.56 81.87 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.991 -0.844 . . . . 1.0 110.991 -179.938 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -89.38 -37.93 14.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.739 0.304 . . . . 1.0 110.547 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.458 ' C ' ' N ' ' A' ' 470' ' ' ASP . 8.3 mt -65.21 -76.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.562 -179.72 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -46.66 -16.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.721 -179.931 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.458 ' N ' ' C ' ' A' ' 468' ' ' LEU . 0.5 OUTLIER -80.17 -38.17 31.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.462 179.959 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -102.85 -57.73 2.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.558 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 10.8 mmtm -84.6 177.91 7.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.491 -179.904 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.378 0 O-C-N 120.051 -1.655 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 446' ' ' ACE . . . . . 0.412 ' O ' ' CD1' ' A' ' 450' ' ' PHE . . . . . . . . 0 C--O 1.232 0.158 . . . . . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 20.4 mtmm -138.78 -36.08 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 1.0 110.462 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.71 -27.16 69.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.493 -179.945 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -89.57 -14.01 36.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.566 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.412 ' CD1' ' O ' ' A' ' 446' ' ' ACE . 56.4 m-85 -89.96 -39.55 12.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.535 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 12.3 mt -73.35 -54.63 15.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.551 -179.955 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 6.5 tt -55.56 -9.98 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.576 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -90.04 -31.13 17.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.618 179.952 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 0.445 ' O ' ' N ' ' A' ' 456' ' ' GLY . 57.8 m-85 -139.19 -72.6 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.621 179.883 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -41.04 -25.66 0.13 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 -180.0 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -101.92 -45.6 1.73 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.892 -0.883 . . . . 1.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.488 ' C ' ' H ' ' A' ' 459' ' ' GLY . 15.0 tp -78.15 -75.07 0.24 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.896 0.379 . . . . 1.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.18 -37.29 0.38 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.555 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . 0.488 ' H ' ' C ' ' A' ' 457' ' ' LEU . . . 88.96 -6.52 83.61 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.929 -0.868 . . . . 1.0 110.929 179.947 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -125.54 -22.54 4.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.769 0.318 . . . . 1.0 110.642 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.473 HD12 ' N ' ' A' ' 461' ' ' ILE . 1.5 mp -91.64 -51.8 11.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.454 179.913 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -45.98 -39.86 9.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.71 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 463' ' ' PHE . . . . . 0.406 ' CD1' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -70.6 -35.58 73.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.406 -179.979 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . 0.406 ' N ' ' CD1' ' A' ' 463' ' ' PHE . 55.2 p -72.19 -7.68 50.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.582 179.885 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -90.29 -54.36 4.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.591 -179.916 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -79.12 -19.7 71.72 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.066 -0.814 . . . . 1.0 111.066 -179.948 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -49.04 -29.64 5.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.789 0.328 . . . . 1.0 110.574 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 472' ' ' LYS . 1.1 mp -76.46 -69.21 0.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.755 -179.846 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 2.0 pp -60.35 -6.48 1.54 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.637 -179.813 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -95.92 -33.59 12.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.519 179.897 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -105.65 -49.32 3.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.544 179.891 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.5 OUTLIER -73.21 -91.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.61 179.971 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 120.106 -1.621 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -102.04 -43.64 5.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.829 0.347 . . . . 1.0 110.549 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -57.53 -14.04 4.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.599 179.966 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -87.91 -8.87 55.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.477 -179.969 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.67 -47.05 7.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.445 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 454' ' ' TYR . 2.7 mp -64.67 -57.02 13.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.676 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 20.0 tt -47.11 -30.1 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.37 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -72.35 -33.94 67.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.391 179.842 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 0.616 ' CE2' ' NH2' ' A' ' 458' ' ' ARG . 4.1 m-85 -76.78 -55.19 5.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.456 179.901 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 135.48 35.87 0.22 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . 41.25 28.56 0.3 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 179.938 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.472 ' C ' ' N ' ' A' ' 459' ' ' GLY . 1.6 pp -79.64 -25.7 41.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.725 0.298 . . . . 1.0 110.576 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . 0.616 ' NH2' ' CE2' ' A' ' 454' ' ' TYR . 0.6 OUTLIER -45.65 -17.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.448 179.89 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . 0.472 ' N ' ' C ' ' A' ' 457' ' ' LEU . . . -41.05 -31.84 0.52 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -64.92 -66.1 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.889 0.376 . . . . 1.0 110.522 179.899 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.539 HD12 ' N ' ' A' ' 461' ' ' ILE . 1.7 mp -55.58 -48.81 77.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.275 179.883 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -45.57 -35.1 3.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.672 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.45 -26.11 20.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.576 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 4.9 t -66.24 -35.27 79.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.607 -179.94 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.0 pp -89.97 -23.95 21.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.633 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . 0.425 ' O ' ' OD2' ' A' ' 470' ' ' ASP . . . -91.02 1.42 77.65 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -90.21 -39.1 13.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.749 0.309 . . . . 1.0 110.776 -179.78 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.88 -69.13 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.81 -179.592 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . 0.714 ' H ' HD23 ' A' ' 469' ' ' LEU . 0.0 OUTLIER -49.57 -21.77 1.08 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.42 -179.855 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.425 ' OD2' ' O ' ' A' ' 466' ' ' GLY . 0.4 OUTLIER -77.63 -37.23 50.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.474 179.932 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 13.9 mttm -112.36 -70.37 0.81 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.602 -179.994 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -72.93 -3.32 25.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.587 179.968 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 119.965 -1.709 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.48 -57.26 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.713 0.292 . . . . 1.0 110.301 . . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.52 -14.22 62.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.547 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -89.45 -12.27 40.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.552 -179.955 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.506 ' O ' ' CD1' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -86.5 -18.8 30.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.493 -179.938 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 29.9 mt -78.16 -57.42 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.491 -179.962 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 9.8 pt -54.93 -12.25 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.547 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . 0.403 ' O ' ' CD1' ' A' ' 454' ' ' TYR . . . -88.5 -21.87 23.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.598 -179.978 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 0.403 ' CD1' ' O ' ' A' ' 453' ' ' ALA . 64.1 m-85 -150.33 -65.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.621 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -46.34 -23.44 1.25 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . -98.38 -33.36 5.69 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.891 -0.884 . . . . 1.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.482 ' C ' ' H ' ' A' ' 459' ' ' GLY . 14.9 tp -84.2 -72.95 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.817 0.341 . . . . 1.0 110.301 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . 0.425 ' CB ' ' O ' ' A' ' 457' ' ' LEU . 0.1 OUTLIER 75.37 -32.25 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.566 -179.924 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' A' ' 457' ' ' LEU . . . 86.95 8.22 76.31 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.871 -0.892 . . . . 1.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -143.34 -37.26 0.35 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.815 0.34 . . . . 1.0 110.489 179.985 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.486 HD12 ' N ' ' A' ' 461' ' ' ILE . 1.5 mp -73.84 -34.89 41.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.329 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -69.7 -26.87 64.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.643 179.92 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 463' ' ' PHE . . . . . 0.453 ' CD2' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -89.73 -46.33 8.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.531 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . 0.453 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 3.9 t -58.08 -15.71 10.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.661 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.3 mp -88.07 -51.36 5.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.603 179.975 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -77.41 0.24 69.8 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -89.8 -38.3 13.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 1.0 110.617 -179.996 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 470' ' ' ASP . 8.3 mt -65.02 -76.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.709 -179.84 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.8 pp -46.82 -16.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.555 -179.921 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.9 OUTLIER -81.13 -38.6 26.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.523 179.944 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 468' ' ' LEU . 8.1 mttm -103.42 -54.92 2.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.563 -179.984 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.69 -66.76 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.555 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 119.947 -1.72 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.88 -68.42 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.802 0.334 . . . . 1.0 110.5 . . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.65 -29.51 70.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.629 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -66.53 -18.1 65.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.602 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.695 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 71.4 m-85 -91.29 -49.21 6.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.436 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 12.1 mt -54.47 -62.02 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.553 -179.969 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 2.0 pp -49.82 -22.52 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.419 179.957 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . 0.695 ' HB3' ' O ' ' A' ' 450' ' ' PHE . . . -67.65 -40.48 84.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.503 179.901 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -94.62 -10.62 31.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.438 179.903 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . 0.495 ' C ' ' H ' ' A' ' 457' ' ' LEU . . . 74.42 55.34 5.63 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 179.874 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . 71.81 -37.7 0.62 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.912 -0.875 . . . . 1.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.495 ' H ' ' C ' ' A' ' 455' ' ' GLY . 14.8 tp -41.02 -63.52 0.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.77 0.319 . . . . 1.0 110.422 179.969 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 460' ' ' ALA . 1.3 tpp85 73.05 47.49 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.418 -179.893 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -40.72 -26.34 0.13 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.915 -0.874 . . . . 1.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 458' ' ' ARG . . . -46.71 -27.03 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.811 0.339 . . . . 1.0 110.487 -179.956 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.636 HD12 ' N ' ' A' ' 461' ' ' ILE . 1.6 mp -90.53 -50.7 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.284 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -47.86 -29.49 3.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.448 179.905 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.27 -32.51 16.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.649 -179.966 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 22.8 t -63.04 -38.83 92.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.695 -179.938 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.0 pp -87.57 -23.5 24.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.663 -179.857 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . 0.422 ' O ' ' OD2' ' A' ' 470' ' ' ASP . . . -90.26 2.15 80.76 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.919 -0.872 . . . . 1.0 110.919 179.925 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -92.14 -40.05 11.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.676 0.274 . . . . 1.0 110.591 -179.966 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 470' ' ' ASP . 8.4 mt -59.32 -77.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.718 -179.652 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -44.2 -19.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.51 -179.764 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.2 OUTLIER -74.64 -47.51 31.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.365 179.744 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -89.83 -43.07 10.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.526 179.859 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -93.6 21.8 6.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.628 179.938 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 120.044 -1.66 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.32 -57.08 2.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.739 0.304 . . . . 1.0 110.372 . . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.05 -14.02 51.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.566 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -90.04 -14.62 33.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.595 179.962 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.523 ' O ' ' CD1' ' A' ' 450' ' ' PHE . 0.0 OUTLIER -84.94 -16.13 42.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.53 -179.922 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 42.0 mt -83.18 -56.28 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.593 179.981 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 1.7 pp -56.48 -13.12 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.522 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . . . . . . . . . . . -88.8 -29.62 19.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.584 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 456' ' ' GLY . 82.0 m-85 -139.21 -69.14 0.43 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.54 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -41.51 -22.37 0.08 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 179.937 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . -99.1 -48.22 1.76 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.926 -0.869 . . . . 1.0 110.926 -179.944 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 459' ' ' GLY . 15.0 tp -60.66 -63.5 1.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.789 0.328 . . . . 1.0 110.399 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . 0.48 ' C ' ' H ' ' A' ' 460' ' ' ALA . 2.5 mpt_? -45.63 -14.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.699 -179.859 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 457' ' ' LEU . . . -74.3 30.86 0.98 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 179.906 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . 0.48 ' H ' ' C ' ' A' ' 458' ' ' ARG . . . -135.72 -60.78 0.73 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.819 0.343 . . . . 1.0 110.525 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.514 HD12 ' N ' ' A' ' 461' ' ' ILE . 1.7 mp -52.03 -35.87 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.445 179.94 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -64.66 -27.45 68.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.591 179.977 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 463' ' ' PHE . . . . . 0.61 ' CD2' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -89.15 -50.22 6.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.548 -179.976 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . 0.61 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 66.1 m -51.86 -15.96 0.61 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.56 -179.94 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.411 ' C ' ' H ' ' A' ' 467' ' ' TYR . 3.6 mp -87.65 -65.52 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.573 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -65.52 1.49 4.12 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.019 -0.832 . . . . 1.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 467' ' ' TYR . . . . . 0.411 ' H ' ' C ' ' A' ' 465' ' ' LEU . 8.2 t80 -91.35 -39.09 12.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.686 0.279 . . . . 1.0 110.75 -179.919 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 470' ' ' ASP . 8.5 mt -62.94 -77.21 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.649 -179.826 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . 0.424 ' H ' HD23 ' A' ' 469' ' ' LEU . 0.3 OUTLIER -44.72 -19.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.591 -179.87 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 468' ' ' LEU . 0.9 OUTLIER -76.84 -38.44 53.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.347 179.796 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 468' ' ' LEU . 26.7 mmtm -102.72 -61.34 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.592 179.865 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -92.0 173.87 7.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.594 179.905 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.383 0 O-C-N 119.996 -1.69 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 446' ' ' ACE . . . . . 0.49 ' O ' ' CD1' ' A' ' 450' ' ' PHE . . . . . . . . 0 C--O 1.231 0.082 . . . . . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -133.13 -49.07 0.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.751 0.31 . . . . 1.0 110.484 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.97 -23.27 12.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.658 -179.943 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -90.07 -20.64 22.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.66 179.95 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.589 ' O ' ' HB3' ' A' ' 453' ' ' ALA . 30.9 m-85 -90.77 -41.73 11.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.558 -179.939 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 15.8 mt -53.4 -65.1 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.586 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 6.2 pt -50.68 -26.89 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.469 179.946 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 450' ' ' PHE . . . -68.3 -31.16 70.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.574 179.836 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -85.0 -54.57 4.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.59 179.959 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . 0.402 ' C ' ' N ' ' A' ' 457' ' ' LEU . . . 134.81 33.47 0.29 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.867 -0.893 . . . . 1.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . . . . . . . . . . . 49.93 16.36 1.21 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.419 ' O ' HD13 ' A' ' 461' ' ' ILE . 1.9 pp -83.05 -23.22 33.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.753 0.311 . . . . 1.0 110.553 -179.958 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . 0.573 ' NH1' ' CA ' ' A' ' 459' ' ' GLY . 0.0 OUTLIER -88.89 18.42 4.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.566 -179.991 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . 0.573 ' CA ' ' NH1' ' A' ' 458' ' ' ARG . . . -103.66 10.11 52.77 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.666 -0.974 . . . . 1.0 110.666 179.638 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -127.83 -15.26 4.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.746 0.308 . . . . 1.0 110.708 -179.86 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.744 HD12 ' N ' ' A' ' 461' ' ' ILE . 1.7 mp -86.53 -57.09 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.536 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -45.55 -38.83 6.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.693 -179.955 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 463' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -35.25 62.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.434 179.944 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . . . . . . . . . 71.8 p -68.6 -10.11 53.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.627 179.863 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.452 ' C ' ' H ' ' A' ' 467' ' ' TYR . 2.1 mm? -84.88 -68.72 0.7 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.433 -179.948 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -63.23 1.5 1.99 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.069 -0.812 . . . . 1.0 111.069 -179.847 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 467' ' ' TYR . . . . . 0.452 ' H ' ' C ' ' A' ' 465' ' ' LEU . 2.6 t80 -90.58 -37.05 14.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.7 0.286 . . . . 1.0 110.784 -179.831 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 470' ' ' ASP . 8.4 mt -63.62 -77.77 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.841 -179.752 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -43.69 -19.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.658 -179.816 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 468' ' ' LEU . 1.1 m-20 -82.78 -41.57 18.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.572 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 468' ' ' LEU . 10.8 mttm -107.38 -58.0 2.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.542 179.96 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 468' ' ' LEU . 2.4 tptp -46.96 136.08 8.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.554 -179.973 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.4 0 O-C-N 120.064 -1.647 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.16 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.22 -68.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 1.0 110.583 . . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -84.47 -27.91 27.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.548 -179.977 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -90.12 -14.1 34.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.569 -179.946 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -87.23 -29.64 21.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.578 -179.998 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . 0.418 ' C ' ' N ' ' A' ' 453' ' ' ALA . 17.2 mt -69.07 -60.62 2.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.521 -179.997 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 16.6 tt -47.19 -19.79 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.638 179.913 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . 0.432 ' O ' ' CD1' ' A' ' 454' ' ' TYR . . . -76.94 -34.37 57.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.515 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 0.483 ' C ' ' H ' ' A' ' 456' ' ' GLY . 34.7 m-85 -142.1 -61.12 0.45 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.652 -179.957 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . -49.02 -10.94 0.16 Allowed Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.047 -0.821 . . . . 1.0 111.047 -179.866 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' A' ' 454' ' ' TYR . . . -126.18 -32.73 0.72 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.81 -0.916 . . . . 1.0 110.81 179.907 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 58.0 tp -100.05 80.78 2.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.882 0.372 . . . . 1.0 110.229 179.911 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . 0.493 ' C ' ' H ' ' A' ' 460' ' ' ALA . 16.9 mtm-85 -99.88 34.3 2.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.621 -179.891 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . 52.92 7.83 0.52 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.956 -0.857 . . . . 1.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . 0.493 ' H ' ' C ' ' A' ' 458' ' ' ARG . . . -127.22 -15.1 5.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.777 0.323 . . . . 1.0 110.632 -179.922 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.645 HD12 ' N ' ' A' ' 461' ' ' ILE . 1.6 mp -90.92 -42.59 13.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.632 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -66.37 -34.4 77.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.718 -179.904 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 463' ' ' PHE . . . . . 0.619 ' CD1' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -63.08 -42.84 99.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.446 -179.959 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . 0.619 ' N ' ' CD1' ' A' ' 463' ' ' PHE . 0.0 OUTLIER -68.41 -11.75 60.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.44 179.93 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -90.75 -45.2 8.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.584 -179.929 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -89.91 -14.68 59.02 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.135 -0.786 . . . . 1.0 111.135 -179.832 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 467' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -51.05 -30.82 16.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.724 0.297 . . . . 1.0 110.841 -179.71 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.473 ' C ' ' H ' ' A' ' 470' ' ' ASP . 2.5 mp -74.04 -69.57 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.008 -179.704 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . 0.57 ' H ' HD23 ' A' ' 469' ' ' LEU . 0.1 OUTLIER -61.75 -0.11 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.783 -179.666 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.473 ' H ' ' C ' ' A' ' 468' ' ' LEU . 22.3 t70 -101.17 -33.87 9.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.318 179.694 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -104.18 -53.08 2.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.54 179.833 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -72.53 -44.48 62.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.52 179.975 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 120.04 -1.662 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 446' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -146.52 -36.73 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.35 . . . . 1.0 110.658 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -68.13 -60.4 2.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.647 -179.971 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 449' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.28 -23.28 0.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.563 179.993 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -91.14 -46.88 7.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.541 179.878 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . . . . . . . . . 11.6 mt -61.92 -58.62 6.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.552 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . 0.47 HG23 ' N ' ' A' ' 453' ' ' ALA . 2.9 tt -51.29 -40.0 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.33 179.949 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 453' ' ' ALA . . . . . 0.47 ' N ' HG23 ' A' ' 452' ' ' ILE . . . -58.15 -28.49 64.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.161 179.608 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 454' ' ' TYR . . . . . 0.461 ' O ' ' N ' ' A' ' 456' ' ' GLY . 14.0 m-85 -103.05 29.75 5.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.87 -0.605 . . . . 1.0 110.167 179.787 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 455' ' ' GLY . . . . . . . . . . . . . . . 39.32 27.35 0.08 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.081 -0.808 . . . . 1.0 111.081 179.928 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 456' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 454' ' ' TYR . . . 45.46 26.72 1.69 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.13 -0.788 . . . . 1.0 111.13 179.993 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 458' ' ' ARG . 2.1 pp -62.3 -46.07 90.42 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.856 -0.338 . . . . 1.0 110.344 179.768 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 458' ' ' ARG . . . . . 0.661 ' H ' ' HE ' ' A' ' 458' ' ' ARG . 0.0 OUTLIER 34.11 67.62 0.21 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.147 -0.478 . . . . 1.0 111.252 179.377 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . 0.449 ' H ' HD12 ' A' ' 457' ' ' LEU . . . -129.72 -6.66 4.06 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 179.975 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -104.22 -55.71 2.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.836 0.35 . . . . 1.0 110.591 179.936 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.524 HD12 ' N ' ' A' ' 461' ' ' ILE . 1.7 mp -50.76 -39.28 18.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.38 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -59.9 -29.83 68.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.638 179.954 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 463' ' ' PHE . . . . . 0.41 ' CD2' ' N ' ' A' ' 464' ' ' SER . 0.0 OUTLIER -84.8 -45.12 12.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.52 -179.959 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 464' ' ' SER . . . . . 0.41 ' N ' ' CD2' ' A' ' 463' ' ' PHE . 4.4 m -58.14 -26.6 62.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.582 -179.994 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 5.4 mp -83.23 -45.11 14.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.578 179.97 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . -81.92 0.72 88.12 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 467' ' ' TYR . . . . . 0.401 ' O ' ' CD1' ' A' ' 467' ' ' TYR . 0.2 OUTLIER -79.54 -31.02 41.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.34 . . . . 1.0 110.66 -179.959 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 470' ' ' ASP . 2.5 mp -70.24 -76.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.655 -179.793 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 469' ' ' LEU . . . . . . . . . . . . . 1.9 pp -46.35 -16.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.671 -179.77 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 468' ' ' LEU . 3.1 t70 -82.94 -41.57 18.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.502 179.954 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -102.26 -50.14 3.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.605 179.898 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 472' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 468' ' ' LEU . 2.3 mmmm -72.21 -97.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.517 179.974 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 473' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 O-C-N 120.06 -1.65 . . . . 1.0 . . . . . . . . . . 0 0 . 1 stop_ save_